3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate

C83H53Cl12F2N11O7 — CID 158474029

IUPAC3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)cc1Cl.N#Cc1ccc(C(=O)NC(c2ccc(Cl)c(Cl)c2)c2ccc(CF)cn2)cc1Cl.N#Cc1ccc(C(=O)NC(c2ccc(Cl)c(Cl)c2)c2ccc(CO)cn2)cc1Cl.N#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(Cl)cn2)cc1F
InChIInChI=1S/C21H14Cl4N2O3.C21H13Cl3FN3O.C21H14Cl3N3O2.C20H12Cl2FN3O/c1-30-21(29)14-5-2-12(9-16(14)24)20(28)27-19(18-7-4-13(22)10-26-18)11-3-6-15(23)17(25)8-11;22-16-5-4-13(7-18(16)24)20(19-6-1-12(9-25)11-27-19)28-21(29)14-2-3-15(10-26)17(23)8-14;22-16-5-4-13(7-18(16)24)20(19-6-1-12(11-28)10-26-19)27-21(29)14-2-3-15(9-25)17(23)8-14;21-15-5-3-12(4-6-15)19(18-8-7-16(22)11-25-18)26-20(27)13-1-2-14(10-24)17(23)9-13/h2-10,19H,1H3,(H,27,28);1-8,11,20H,9H2,(H,28,29);1-8,10,20,28H,11H2,(H,27,29);1-9,11,19H,(H,26,27)/t19-;;;19-/m0..0/s1
InChIKeyHGSAUKFBRHQBGY-RUZHDIGPSA-N
MW1779.84 g/mol
LogP21.75
Rot. Bonds19

About 3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate

3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate (PubChem CID 158474029) has the molecular formula C83H53Cl12F2N11O7 and a molecular weight of 1779.84 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate.

Molecular Properties

Compound Name3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate
PubChem CID158474029
Molecular FormulaC83H53Cl12F2N11O7
Molecular Weight1779.84 g/mol
Exact Mass1773.04
IUPAC Name3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)cc1Cl.N#Cc1ccc(C(=O)NC(c2ccc(Cl)c(Cl)c2)c2ccc(CF)cn2)cc1Cl.N#Cc1ccc(C(=O)NC(c2ccc(Cl)c(Cl)c2)c2ccc(CO)cn2)cc1Cl.N#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(Cl)cn2)cc1F
InChIInChI=1S/C21H14Cl4N2O3.C21H13Cl3FN3O.C21H14Cl3N3O2.C20H12Cl2FN3O/c1-30-21(29)14-5-2-12(9-16(14)24)20(28)27-19(18-7-4-13(22)10-26-18)11-3-6-15(23)17(25)8-11;22-16-5-4-13(7-18(16)24)20(19-6-1-12(9-25)11-27-19)28-21(29)14-2-3-15(10-26)17(23)8-14;22-16-5-4-13(7-18(16)24)20(19-6-1-12(11-28)10-26-19)27-21(29)14-2-3-15(9-25)17(23)8-14;21-15-5-3-12(4-6-15)19(18-8-7-16(22)11-25-18)26-20(27)13-1-2-14(10-24)17(23)9-13/h2-10,19H,1H3,(H,27,28);1-8,11,20H,9H2,(H,28,29);1-8,10,20,28H,11H2,(H,27,29);1-9,11,19H,(H,26,27)/t19-;;;19-/m0..0/s1
InChIKeyHGSAUKFBRHQBGY-RUZHDIGPSA-N
XLogP21.75
TPSA285.86 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001779.84
LogP ≤ 521.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate with MolForge

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Related Compounds

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 160836309
N-[(S)-(5-bromo-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3,4-dicyanobenzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3,5-dimethylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3,5-dimethylbenzamide;methyl 5-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]-2-cyanobenzoate
CID 157483682
6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 160757505
N-[(S)-(5-chloropyrazin-2-yl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-fluorobenzamide;N-[(S)-(5-chloro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide;4-cyano-N-[(S)-(3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methyl]-3-fluorobenzamide;4-cyano-N-[(S)-(3,5-dichloro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methyl]-3-fluorobenzamide
CID 160877949
N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3,5-difluorobenzamide;N-[(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-2-(4-isocyanophenyl)acetamide;[(4-chlorophenyl)-(5-methyl-2-pyridinyl)methyl] 4-cyano-3-methylbenzoate;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3,5-difluorobenzamide
CID 161234742

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate?
The IUPAC name of 3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate (CID 158474029) is 3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate.
What is the SMILES notation for 3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate?
The canonical SMILES for 3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)cc1Cl.N#Cc1ccc(C(=O)NC(c2ccc(Cl)c(Cl)c2)c2ccc(CF)cn2)cc1Cl.N#Cc1ccc(C(=O)NC(c2ccc(Cl)c(Cl)c2)c2ccc(CO)cn2)cc1Cl.N#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(Cl)cn2)cc1F.
What is the InChIKey of 3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate?
The InChIKey is HGSAUKFBRHQBGY-RUZHDIGPSA-N. The full InChI is InChI=1S/C21H14Cl4N2O3.C21H13Cl3FN3O.C21H14Cl3N3O2.C20H12Cl2FN3O/c1-30-21(29)14-5-2-12(9-16(14)24)20(28)27-19(18-7-4-13(22)10-26-18)11-3-6-15(23)17(25)8-11;22-16-5-4-13(7-18(16)24)20(19-6-1-12(9-25)11-27-19)28-21(29)14-2-3-15(10-26)17(23)8-14;22-16-5-4-13(7-18(16)24)20(19-6-1-12(11-28)10-26-19)27-21(29)14-2-3-15(9-25)17(23)8-14;21-15-5-3-12(4-6-15)19(18-8-7-16(22)11-25-18)26-20(27)13-1-2-14(10-24)17(23)9-13/h2-10,19H,1H3,(H,27,28);1-8,11,20H,9H2,(H,28,29);1-8,10,20,28H,11H2,(H,27,29);1-9,11,19H,(H,26,27)/t19-;;;19-/m0..0/s1.
What are the key properties of 3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate?
3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate has a molecular weight of 1779.84 g/mol, XLogP of 21.75, 19 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate is sourced from PubChem (CID 158474029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).