3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide

C187H169Cl8F3N22O26 — CID 172936485

IUPAC3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide
SMILESCC(c1ccccc1)N1CCN(C(=O)COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)CC1.Cc1ccccc1N1CCN(C(=O)COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)CC1.O=C(N/N=C/c1ccc(OCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1.O=C(N/N=C/c1ccc(OCC(=O)N2CCC(O)(c3ccccc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1.O=C(N/N=C/c1ccc(OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1.O=C(N/N=C/c1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C32H31ClN4O4.C31H28Cl2N4O4.C31H27Cl2N3O5.C31H26ClF3N4O4.C31H29ClN4O4.C31H28ClN3O5/c1-22(23-7-3-2-4-8-23)36-15-17-37(18-16-36)31(39)21-41-30-14-12-25(26-9-5-6-10-27(26)30)20-34-35-32(40)24-11-13-29(38)28(33)19-24;32-24-9-5-21(6-10-24)19-36-13-15-37(16-14-36)30(39)20-41-29-12-8-23(25-3-1-2-4-26(25)29)18-34-35-31(40)22-7-11-28(38)27(33)17-22;32-23-9-7-22(8-10-23)31(40)13-15-36(16-14-31)29(38)19-41-28-12-6-21(24-3-1-2-4-25(24)28)18-34-35-30(39)20-5-11-27(37)26(33)17-20;32-26-17-20(5-11-27(26)40)30(42)37-36-18-21-6-12-28(25-4-2-1-3-24(21)25)43-19-29(41)39-15-13-38(14-16-39)23-9-7-22(8-10-23)31(33,34)35;1-21-6-2-5-9-27(21)35-14-16-36(17-15-35)30(38)20-40-29-13-11-23(24-7-3-4-8-25(24)29)19-33-34-31(39)22-10-12-28(37)26(32)18-22;32-26-18-21(10-12-27(26)36)30(38)34-33-19-22-11-13-28(25-9-5-4-8-24(22)25)40-20-29(37)35-16-14-31(39,15-17-35)23-6-2-1-3-7-23/h2-14,19-20,22,38H,15-18,21H2,1H3,(H,35,40);1-12,17-18,38H,13-16,19-20H2,(H,35,40);1-12,17-18,37,40H,13-16,19H2,(H,35,39);1-12,17-18,40H,13-16,19H2,(H,37,42);2-13,18-19,37H,14-17,20H2,1H3,(H,34,39);1-13,18-19,36,39H,14-17,20H2,(H,34,38)/b34-20+;2*34-18+;36-18+;2*33-19+
InChIKeyLLPBYYARNYLBSZ-XDSAJYCCSA-N
MW3481.15 g/mol
LogP31.65
Rot. Bonds44

About 3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide

3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide (PubChem CID 172936485) has the molecular formula C187H169Cl8F3N22O26 and a molecular weight of 3481.15 g/mol. Its IUPAC name is 3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide
PubChem CID172936485
Molecular FormulaC187H169Cl8F3N22O26
Molecular Weight3481.15 g/mol
Exact Mass3475.00
IUPAC Name3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide
SMILESCC(c1ccccc1)N1CCN(C(=O)COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)CC1.Cc1ccccc1N1CCN(C(=O)COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)CC1.O=C(N/N=C/c1ccc(OCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1.O=C(N/N=C/c1ccc(OCC(=O)N2CCC(O)(c3ccccc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1.O=C(N/N=C/c1ccc(OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1.O=C(N/N=C/c1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C32H31ClN4O4.C31H28Cl2N4O4.C31H27Cl2N3O5.C31H26ClF3N4O4.C31H29ClN4O4.C31H28ClN3O5/c1-22(23-7-3-2-4-8-23)36-15-17-37(18-16-36)31(39)21-41-30-14-12-25(26-9-5-6-10-27(26)30)20-34-35-32(40)24-11-13-29(38)28(33)19-24;32-24-9-5-21(6-10-24)19-36-13-15-37(16-14-36)30(39)20-41-29-12-8-23(25-3-1-2-4-26(25)29)18-34-35-31(40)22-7-11-28(38)27(33)17-22;32-23-9-7-22(8-10-23)31(40)13-15-36(16-14-31)29(38)19-41-28-12-6-21(24-3-1-2-4-25(24)28)18-34-35-30(39)20-5-11-27(37)26(33)17-20;32-26-17-20(5-11-27(26)40)30(42)37-36-18-21-6-12-28(25-4-2-1-3-24(21)25)43-19-29(41)39-15-13-38(14-16-39)23-9-7-22(8-10-23)31(33,34)35;1-21-6-2-5-9-27(21)35-14-16-36(17-15-35)30(38)20-40-29-13-11-23(24-7-3-4-8-25(24)29)19-33-34-31(39)22-10-12-28(37)26(32)18-22;32-26-18-21(10-12-27(26)36)30(38)34-33-19-22-11-13-28(25-9-5-4-8-24(22)25)40-20-29(37)35-16-14-31(39,15-17-35)23-6-2-1-3-7-23/h2-14,19-20,22,38H,15-18,21H2,1H3,(H,35,40);1-12,17-18,38H,13-16,19-20H2,(H,35,40);1-12,17-18,37,40H,13-16,19H2,(H,35,39);1-12,17-18,40H,13-16,19H2,(H,37,42);2-13,18-19,37H,14-17,20H2,1H3,(H,34,39);1-13,18-19,36,39H,14-17,20H2,(H,34,38)/b34-20+;2*34-18+;36-18+;2*33-19+
InChIKeyLLPBYYARNYLBSZ-XDSAJYCCSA-N
XLogP31.65
TPSA600.80 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds44
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003481.15
LogP ≤ 531.65
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide with MolForge

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Related Compounds

3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 59091699
N-[(E)-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 59091666
3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 59091716
3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 59091836
tert-butyl 4-[2-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]oxyacetyl]piperazine-1-carboxylate
CID 59092417
tert-butyl 4-[2-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]oxyacetyl]piperazine-1-carboxylate
CID 72514403
3-chloro-N-[(E)-[4-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 59092089
3-chloro-N-[(E)-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 59092370
N-[[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 77300983
3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethoxy]-2-methylphenyl]methylideneamino]-4-hydroxybenzamide
CID 59091823
3-chloro-N-[[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 77350613
3-chloro-4-hydroxy-N-[(E)-[4-[2-(methylamino)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 87419196

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide (CID 172936485) is 3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide is CC(c1ccccc1)N1CCN(C(=O)COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)CC1.Cc1ccccc1N1CCN(C(=O)COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)CC1.O=C(N/N=C/c1ccc(OCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1.O=C(N/N=C/c1ccc(OCC(=O)N2CCC(O)(c3ccccc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1.O=C(N/N=C/c1ccc(OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1.O=C(N/N=C/c1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide?
The InChIKey is LLPBYYARNYLBSZ-XDSAJYCCSA-N. The full InChI is InChI=1S/C32H31ClN4O4.C31H28Cl2N4O4.C31H27Cl2N3O5.C31H26ClF3N4O4.C31H29ClN4O4.C31H28ClN3O5/c1-22(23-7-3-2-4-8-23)36-15-17-37(18-16-36)31(39)21-41-30-14-12-25(26-9-5-6-10-27(26)30)20-34-35-32(40)24-11-13-29(38)28(33)19-24;32-24-9-5-21(6-10-24)19-36-13-15-37(16-14-36)30(39)20-41-29-12-8-23(25-3-1-2-4-26(25)29)18-34-35-31(40)22-7-11-28(38)27(33)17-22;32-23-9-7-22(8-10-23)31(40)13-15-36(16-14-31)29(38)19-41-28-12-6-21(24-3-1-2-4-25(24)28)18-34-35-30(39)20-5-11-27(37)26(33)17-20;32-26-17-20(5-11-27(26)40)30(42)37-36-18-21-6-12-28(25-4-2-1-3-24(21)25)43-19-29(41)39-15-13-38(14-16-39)23-9-7-22(8-10-23)31(33,34)35;1-21-6-2-5-9-27(21)35-14-16-36(17-15-35)30(38)20-40-29-13-11-23(24-7-3-4-8-25(24)29)19-33-34-31(39)22-10-12-28(37)26(32)18-22;32-26-18-21(10-12-27(26)36)30(38)34-33-19-22-11-13-28(25-9-5-4-8-24(22)25)40-20-29(37)35-16-14-31(39,15-17-35)23-6-2-1-3-7-23/h2-14,19-20,22,38H,15-18,21H2,1H3,(H,35,40);1-12,17-18,38H,13-16,19-20H2,(H,35,40);1-12,17-18,37,40H,13-16,19H2,(H,35,39);1-12,17-18,40H,13-16,19H2,(H,37,42);2-13,18-19,37H,14-17,20H2,1H3,(H,34,39);1-13,18-19,36,39H,14-17,20H2,(H,34,38)/b34-20+;2*34-18+;36-18+;2*33-19+.
What are the key properties of 3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide?
3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide has a molecular weight of 3481.15 g/mol, XLogP of 31.65, 44 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-N-[(E)-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]naphthalen-1-yl]methylideneamino]benzamide is sourced from PubChem (CID 172936485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).