N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide

C22H15Cl2FN2O2 — CID 121264329

IUPACN-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2F)ccc1C#N
InChIInChI=1S/C22H15Cl2FN2O2/c1-29-20-10-14(2-3-15(20)12-26)22(28)27-21(13-4-6-16(23)7-5-13)18-9-8-17(24)11-19(18)25/h2-11,21H,1H3,(H,27,28)
InChIKeyJHGXTBOZOAMDAC-UHFFFAOYSA-N
MW429.28 g/mol
LogP5.53
Rot. Bonds5

About N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide

N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide (PubChem CID 121264329) has the molecular formula C22H15Cl2FN2O2 and a molecular weight of 429.28 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide
PubChem CID121264329
Molecular FormulaC22H15Cl2FN2O2
Molecular Weight429.28 g/mol
Exact Mass428.05
IUPAC NameN-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2F)ccc1C#N
InChIInChI=1S/C22H15Cl2FN2O2/c1-29-20-10-14(2-3-15(20)12-26)22(28)27-21(13-4-6-16(23)7-5-13)18-9-8-17(24)11-19(18)25/h2-11,21H,1H3,(H,27,28)
InChIKeyJHGXTBOZOAMDAC-UHFFFAOYSA-N
XLogP5.53
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.28
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(R)-(4-chloro-2-methoxyphenyl)-(4-chlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 130293885
N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 121264206
N-[(S)-[4-chloro-2-(hydroxymethyl)phenyl]-(4-chlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288379
N-[(4-chlorophenyl)-(6-chloro-3-pyridinyl)methyl]-4-cyano-3-fluorobenzamide
CID 121264422
N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288163
3-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyanobenzamide
CID 130288359
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288340
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide
CID 130288181
N-[(R)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-4-cyano-3-methylbenzamide
CID 121264758
4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
CID 55414528

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide (CID 121264329) is N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide is COc1cc(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2F)ccc1C#N.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide?
The InChIKey is JHGXTBOZOAMDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN2O2/c1-29-20-10-14(2-3-15(20)12-26)22(28)27-21(13-4-6-16(23)7-5-13)18-9-8-17(24)11-19(18)25/h2-11,21H,1H3,(H,27,28).
What are the key properties of N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide?
N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide has a molecular weight of 429.28 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide is sourced from PubChem (CID 121264329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).