N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide

C89H68Cl8FN13O8 — CID 162164311

IUPACN-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide
SMILESCN(C)C(=O)COc1ccc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)cc1C#N.Cc1ccnc(C(NC(=O)c2ccc(C#N)c(C)c2)c2ccc(Cl)cc2)c1.Cc1ccnc(C(NC(=O)c2ccc(C#N)c(F)c2)c2ccc(Cl)cc2)c1.N#Cc1cc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)ccc1OCCO
InChIInChI=1S/C24H19Cl3N4O3.C22H16Cl3N3O3.C22H18ClN3O.C21H15ClFN3O/c1-31(2)22(32)13-34-21-8-4-15(9-16(21)11-28)24(33)30-23(20-7-5-17(25)12-29-20)14-3-6-18(26)19(27)10-14;23-16-3-5-19(27-12-16)21(13-1-4-17(24)18(25)10-13)28-22(30)14-2-6-20(31-8-7-29)15(9-14)11-26;1-14-9-10-25-20(11-14)21(16-5-7-19(23)8-6-16)26-22(27)17-3-4-18(13-24)15(2)12-17;1-13-8-9-25-19(10-13)20(14-4-6-17(22)7-5-14)26-21(27)15-2-3-16(12-24)18(23)11-15/h3-10,12,23H,13H2,1-2H3,(H,30,33);1-6,9-10,12,21,29H,7-8H2,(H,28,30);3-12,21H,1-2H3,(H,26,27);2-11,20H,1H3,(H,26,27)/t23-;21-;;/m00../s1
InChIKeyZMXNZUKWPGBGTM-VQGYVCOISA-N
MW1750.23 g/mol
LogP19.02
Rot. Bonds22

About N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide

N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide (PubChem CID 162164311) has the molecular formula C89H68Cl8FN13O8 and a molecular weight of 1750.23 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide
PubChem CID162164311
Molecular FormulaC89H68Cl8FN13O8
Molecular Weight1750.23 g/mol
Exact Mass1745.28
IUPAC NameN-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide
SMILESCN(C)C(=O)COc1ccc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)cc1C#N.Cc1ccnc(C(NC(=O)c2ccc(C#N)c(C)c2)c2ccc(Cl)cc2)c1.Cc1ccnc(C(NC(=O)c2ccc(C#N)c(F)c2)c2ccc(Cl)cc2)c1.N#Cc1cc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)ccc1OCCO
InChIInChI=1S/C24H19Cl3N4O3.C22H16Cl3N3O3.C22H18ClN3O.C21H15ClFN3O/c1-31(2)22(32)13-34-21-8-4-15(9-16(21)11-28)24(33)30-23(20-7-5-17(25)12-29-20)14-3-6-18(26)19(27)10-14;23-16-3-5-19(27-12-16)21(13-1-4-17(24)18(25)10-13)28-22(30)14-2-6-20(31-8-7-29)15(9-14)11-26;1-14-9-10-25-20(11-14)21(16-5-7-19(23)8-6-16)26-22(27)17-3-4-18(13-24)15(2)12-17;1-13-8-9-25-19(10-13)20(14-4-6-17(22)7-5-14)26-21(27)15-2-3-16(12-24)18(23)11-15/h3-10,12,23H,13H2,1-2H3,(H,30,33);1-6,9-10,12,21,29H,7-8H2,(H,28,30);3-12,21H,1-2H3,(H,26,27);2-11,20H,1H3,(H,26,27)/t23-;21-;;/m00../s1
InChIKeyZMXNZUKWPGBGTM-VQGYVCOISA-N
XLogP19.02
TPSA322.12 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001750.23
LogP ≤ 519.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide?
The IUPAC name of N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide (CID 162164311) is N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide is CN(C)C(=O)COc1ccc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)cc1C#N.Cc1ccnc(C(NC(=O)c2ccc(C#N)c(C)c2)c2ccc(Cl)cc2)c1.Cc1ccnc(C(NC(=O)c2ccc(C#N)c(F)c2)c2ccc(Cl)cc2)c1.N#Cc1cc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)ccc1OCCO.
What is the InChIKey of N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide?
The InChIKey is ZMXNZUKWPGBGTM-VQGYVCOISA-N. The full InChI is InChI=1S/C24H19Cl3N4O3.C22H16Cl3N3O3.C22H18ClN3O.C21H15ClFN3O/c1-31(2)22(32)13-34-21-8-4-15(9-16(21)11-28)24(33)30-23(20-7-5-17(25)12-29-20)14-3-6-18(26)19(27)10-14;23-16-3-5-19(27-12-16)21(13-1-4-17(24)18(25)10-13)28-22(30)14-2-6-20(31-8-7-29)15(9-14)11-26;1-14-9-10-25-20(11-14)21(16-5-7-19(23)8-6-16)26-22(27)17-3-4-18(13-24)15(2)12-17;1-13-8-9-25-19(10-13)20(14-4-6-17(22)7-5-14)26-21(27)15-2-3-16(12-24)18(23)11-15/h3-10,12,23H,13H2,1-2H3,(H,30,33);1-6,9-10,12,21,29H,7-8H2,(H,28,30);3-12,21H,1-2H3,(H,26,27);2-11,20H,1H3,(H,26,27)/t23-;21-;;/m00../s1.
What are the key properties of N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide?
N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide has a molecular weight of 1750.23 g/mol, XLogP of 19.02, 22 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 162164311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).