N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide

C191H183ClF3N17O12 — CID 157466362

IUPACN-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide
SMILESCC(=O)/C=C/c1cc(F)cc(N(Cc2ccc(-c3ccc4c(c3)ncn4C)cc2)C(=O)c2ccccc2)c1.CC(=O)/C=C/c1cncc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1)N(C(=O)C1CCCCC1)c1cncc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1Cl)N(C(=O)C1CCCCC1)c1cc(F)cc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(c2)ncn3C)cc1)N(C(=O)c1ccccc1)c1cc(F)cc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(c2)ncn3C)cc1)N(C(=O)c1ccccc1)c1cccc(/C=C/C(C)=O)c1
InChIInChI=1S/C32H34ClFN2O2.2C32H26FN3O2.C32H35N3O2.C32H27N3O2.C31H35N3O2/c1-22(37)9-10-23-17-28(34)20-30(18-23)36(32(38)25-7-5-4-6-8-25)21-27-12-11-26(19-31(27)33)24-13-15-29(16-14-24)35(2)3;2*1-22(37)8-9-24-16-28(33)19-29(17-24)36(32(38)26-6-4-3-5-7-26)20-23-10-12-25(13-11-23)27-14-15-31-30(18-27)34-21-35(31)2;1-22(36)4-5-25-17-30(20-33-19-25)35(32(37)31-18-24-8-11-28(31)16-24)21-23-6-9-26(10-7-23)27-12-14-29(15-13-27)34(2)3;1-23(36)11-12-24-7-6-10-29(19-24)35(32(37)27-8-4-3-5-9-27)21-25-13-15-26(16-14-25)28-17-18-31-30(20-28)33-22-34(31)2;1-23(35)9-10-25-19-30(21-32-20-25)34(31(36)28-7-5-4-6-8-28)22-24-11-13-26(14-12-24)27-15-17-29(18-16-27)33(2)3/h9-20,25H,4-8,21H2,1-3H3;2*3-19,21H,20H2,1-2H3;4-7,9-10,12-15,17,19-20,24,28,31H,8,11,16,18,21H2,1-3H3;3-20,22H,21H2,1-2H3;9-21,28H,4-8,22H2,1-3H3/b10-9+;2*9-8+;5-4+;12-11+;10-9+/t;;;24-,28+,31-;;/m...1../s1/i21D;20D;;;21D;22D
InChIKeyBUNIZLVSBCFHDG-LCIVXQFGSA-N
MW3005.14 g/mol
LogP41.19
Rot. Bonds45

About N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide

N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide (PubChem CID 157466362) has the molecular formula C191H183ClF3N17O12 and a molecular weight of 3005.14 g/mol. Its IUPAC name is N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide
PubChem CID157466362
Molecular FormulaC191H183ClF3N17O12
Molecular Weight3005.14 g/mol
Exact Mass3002.41
IUPAC NameN-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide
SMILESCC(=O)/C=C/c1cc(F)cc(N(Cc2ccc(-c3ccc4c(c3)ncn4C)cc2)C(=O)c2ccccc2)c1.CC(=O)/C=C/c1cncc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1)N(C(=O)C1CCCCC1)c1cncc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1Cl)N(C(=O)C1CCCCC1)c1cc(F)cc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(c2)ncn3C)cc1)N(C(=O)c1ccccc1)c1cc(F)cc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(c2)ncn3C)cc1)N(C(=O)c1ccccc1)c1cccc(/C=C/C(C)=O)c1
InChIInChI=1S/C32H34ClFN2O2.2C32H26FN3O2.C32H35N3O2.C32H27N3O2.C31H35N3O2/c1-22(37)9-10-23-17-28(34)20-30(18-23)36(32(38)25-7-5-4-6-8-25)21-27-12-11-26(19-31(27)33)24-13-15-29(16-14-24)35(2)3;2*1-22(37)8-9-24-16-28(33)19-29(17-24)36(32(38)26-6-4-3-5-7-26)20-23-10-12-25(13-11-23)27-14-15-31-30(18-27)34-21-35(31)2;1-22(36)4-5-25-17-30(20-33-19-25)35(32(37)31-18-24-8-11-28(31)16-24)21-23-6-9-26(10-7-23)27-12-14-29(15-13-27)34(2)3;1-23(36)11-12-24-7-6-10-29(19-24)35(32(37)27-8-4-3-5-9-27)21-25-13-15-26(16-14-25)28-17-18-31-30(20-28)33-22-34(31)2;1-23(35)9-10-25-19-30(21-32-20-25)34(31(36)28-7-5-4-6-8-28)22-24-11-13-26(14-12-24)27-15-17-29(18-16-27)33(2)3/h9-20,25H,4-8,21H2,1-3H3;2*3-19,21H,20H2,1-2H3;4-7,9-10,12-15,17,19-20,24,28,31H,8,11,16,18,21H2,1-3H3;3-20,22H,21H2,1-2H3;9-21,28H,4-8,22H2,1-3H3/b10-9+;2*9-8+;5-4+;12-11+;10-9+/t;;;24-,28+,31-;;/m...1../s1/i21D;20D;;;21D;22D
InChIKeyBUNIZLVSBCFHDG-LCIVXQFGSA-N
XLogP41.19
TPSA313.24 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds45
Heavy Atoms224
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003005.14
LogP ≤ 541.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide?
The IUPAC name of N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide (CID 157466362) is N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide?
The canonical SMILES for N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide is CC(=O)/C=C/c1cc(F)cc(N(Cc2ccc(-c3ccc4c(c3)ncn4C)cc2)C(=O)c2ccccc2)c1.CC(=O)/C=C/c1cncc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1)N(C(=O)C1CCCCC1)c1cncc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc(N(C)C)cc2)cc1Cl)N(C(=O)C1CCCCC1)c1cc(F)cc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(c2)ncn3C)cc1)N(C(=O)c1ccccc1)c1cc(F)cc(/C=C/C(C)=O)c1.[2H]C(c1ccc(-c2ccc3c(c2)ncn3C)cc1)N(C(=O)c1ccccc1)c1cccc(/C=C/C(C)=O)c1.
What is the InChIKey of N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide?
The InChIKey is BUNIZLVSBCFHDG-LCIVXQFGSA-N. The full InChI is InChI=1S/C32H34ClFN2O2.2C32H26FN3O2.C32H35N3O2.C32H27N3O2.C31H35N3O2/c1-22(37)9-10-23-17-28(34)20-30(18-23)36(32(38)25-7-5-4-6-8-25)21-27-12-11-26(19-31(27)33)24-13-15-29(16-14-24)35(2)3;2*1-22(37)8-9-24-16-28(33)19-29(17-24)36(32(38)26-6-4-3-5-7-26)20-23-10-12-25(13-11-23)27-14-15-31-30(18-27)34-21-35(31)2;1-22(36)4-5-25-17-30(20-33-19-25)35(32(37)31-18-24-8-11-28(31)16-24)21-23-6-9-26(10-7-23)27-12-14-29(15-13-27)34(2)3;1-23(36)11-12-24-7-6-10-29(19-24)35(32(37)27-8-4-3-5-9-27)21-25-13-15-26(16-14-25)28-17-18-31-30(20-28)33-22-34(31)2;1-23(35)9-10-25-19-30(21-32-20-25)34(31(36)28-7-5-4-6-8-28)22-24-11-13-26(14-12-24)27-15-17-29(18-16-27)33(2)3/h9-20,25H,4-8,21H2,1-3H3;2*3-19,21H,20H2,1-2H3;4-7,9-10,12-15,17,19-20,24,28,31H,8,11,16,18,21H2,1-3H3;3-20,22H,21H2,1-2H3;9-21,28H,4-8,22H2,1-3H3/b10-9+;2*9-8+;5-4+;12-11+;10-9+/t;;;24-,28+,31-;;/m...1../s1/i21D;20D;;;21D;22D.
What are the key properties of N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide?
N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide has a molecular weight of 3005.14 g/mol, XLogP of 41.19, 45 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[4-(dimethylamino)phenyl]phenyl]-deuteriomethyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]cyclohexanecarboxamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]benzamide;N-[deuterio-[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]-N-[3-[(E)-3-oxobut-1-enyl]phenyl]benzamide;(1S,2R,4R)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[5-[(E)-3-oxobut-1-enyl]-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]-N-[[4-(1-methylbenzimidazol-5-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 157466362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).