3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide

C56H55Cl3N6O9 — CID 172919413

IUPAC3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide
SMILESCC(O)/C=C/c1cccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c1.CCC(O)C/C=C/c1cccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c1.O=C(N/N=C/c1cccc(/C=C/CCO)c1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C20H21ClN2O3.2C18H17ClN2O3/c1-2-17(24)8-4-6-14-5-3-7-15(11-14)13-22-23-20(26)16-9-10-19(25)18(21)12-16;1-12(22)5-6-13-3-2-4-14(9-13)11-20-21-18(24)15-7-8-17(23)16(19)10-15;19-16-11-15(7-8-17(16)23)18(24)21-20-12-14-6-3-5-13(10-14)4-1-2-9-22/h3-7,9-13,17,24-25H,2,8H2,1H3,(H,23,26);2-12,22-23H,1H3,(H,21,24);1,3-8,10-12,22-23H,2,9H2,(H,21,24)/b6-4+,22-13+;6-5+,20-11+;4-1+,20-12+
InChIKeyZTPRNTVLXZKVPY-LNIZPFJLSA-N
MW1062.45 g/mol
LogP10.39
Rot. Bonds18

About 3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide

3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide (PubChem CID 172919413) has the molecular formula C56H55Cl3N6O9 and a molecular weight of 1062.45 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide
PubChem CID172919413
Molecular FormulaC56H55Cl3N6O9
Molecular Weight1062.45 g/mol
Exact Mass1060.31
IUPAC Name3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide
SMILESCC(O)/C=C/c1cccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c1.CCC(O)C/C=C/c1cccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c1.O=C(N/N=C/c1cccc(/C=C/CCO)c1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C20H21ClN2O3.2C18H17ClN2O3/c1-2-17(24)8-4-6-14-5-3-7-15(11-14)13-22-23-20(26)16-9-10-19(25)18(21)12-16;1-12(22)5-6-13-3-2-4-14(9-13)11-20-21-18(24)15-7-8-17(23)16(19)10-15;19-16-11-15(7-8-17(16)23)18(24)21-20-12-14-6-3-5-13(10-14)4-1-2-9-22/h3-7,9-13,17,24-25H,2,8H2,1H3,(H,23,26);2-12,22-23H,1H3,(H,21,24);1,3-8,10-12,22-23H,2,9H2,(H,21,24)/b6-4+,22-13+;6-5+,20-11+;4-1+,20-12+
InChIKeyZTPRNTVLXZKVPY-LNIZPFJLSA-N
XLogP10.39
TPSA245.76 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001062.45
LogP ≤ 510.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide with MolForge

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Related Compounds

3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-phenylprop-1-enyl]phenyl]methylideneamino]benzamide
CID 59092689
3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide
CID 72514621
5-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]pent-4-enoic acid
CID 72514634
3-chloro-4-hydroxy-N-[(E)-[4-(3-hydroxybut-1-ynyl)phenyl]methylideneamino]benzamide
CID 59092022
3-chloro-4-hydroxy-N-[[4-(3-phenoxyprop-1-enyl)phenyl]methylideneamino]benzamide
CID 72514576
N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 54251158
3-chloro-4-hydroxy-N-[[4-[2-(3-hydroxyphenyl)ethynyl]phenyl]methylideneamino]benzamide
CID 54447185
3-chloro-N-[(E)-[3-[3-(2,6-dichlorophenoxy)prop-1-ynyl]phenyl]methylideneamino]-4-hydroxybenzamide
CID 59092155
3-chloro-N-[(E)-[4-[3-(diethylamino)prop-1-ynyl]phenyl]methylideneamino]-4-hydroxybenzamide
CID 59092719
3,4-dichloro-N-[(Z)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]benzamide
CID 137173876
N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 71537752
3-chloro-4-hydroxy-N-[[4-(1-hydroxy-3-methylbutyl)naphthalen-1-yl]methylideneamino]benzamide
CID 72514584

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide (CID 172919413) is 3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide is CC(O)/C=C/c1cccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c1.CCC(O)C/C=C/c1cccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c1.O=C(N/N=C/c1cccc(/C=C/CCO)c1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide?
The InChIKey is ZTPRNTVLXZKVPY-LNIZPFJLSA-N. The full InChI is InChI=1S/C20H21ClN2O3.2C18H17ClN2O3/c1-2-17(24)8-4-6-14-5-3-7-15(11-14)13-22-23-20(26)16-9-10-19(25)18(21)12-16;1-12(22)5-6-13-3-2-4-14(9-13)11-20-21-18(24)15-7-8-17(23)16(19)10-15;19-16-11-15(7-8-17(16)23)18(24)21-20-12-14-6-3-5-13(10-14)4-1-2-9-22/h3-7,9-13,17,24-25H,2,8H2,1H3,(H,23,26);2-12,22-23H,1H3,(H,21,24);1,3-8,10-12,22-23H,2,9H2,(H,21,24)/b6-4+,22-13+;6-5+,20-11+;4-1+,20-12+.
What are the key properties of 3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide?
3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide has a molecular weight of 1062.45 g/mol, XLogP of 10.39, 18 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 172919413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).