2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide

C15H10Cl2N2O — CID 685432

IUPAC2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide
SMILESN#C[C@H](NC(=O)c1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O/c16-11-7-5-10(6-8-11)14(9-18)19-15(20)12-3-1-2-4-13(12)17/h1-8,14H,(H,19,20)/t14-/m0/s1
InChIKeyRKNQRVNNAXVPQF-AWEZNQCLSA-N
MW305.16 g/mol
LogP3.99
Rot. Bonds3

About 2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide

2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide (PubChem CID 685432) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide
PubChem CID685432
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide
SMILESN#C[C@H](NC(=O)c1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O/c16-11-7-5-10(6-8-11)14(9-18)19-15(20)12-3-1-2-4-13(12)17/h1-8,14H,(H,19,20)/t14-/m0/s1
InChIKeyRKNQRVNNAXVPQF-AWEZNQCLSA-N
XLogP3.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide
CID 60717552
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
N-[cyano(phenyl)methyl]-2-methylbenzamide
CID 60659356
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide
CID 60659253
tert-butyl N-[(4-chlorophenyl)-cyanomethyl]carbamate
CID 11242589
N-[cyano-(4-fluorophenyl)methyl]benzamide
CID 78631246
2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide
CID 103605980
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide
CID 96549369

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide?
The IUPAC name of 2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide (CID 685432) is 2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide?
The canonical SMILES for 2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide is N#C[C@H](NC(=O)c1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide?
The InChIKey is RKNQRVNNAXVPQF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-11-7-5-10(6-8-11)14(9-18)19-15(20)12-3-1-2-4-13(12)17/h1-8,14H,(H,19,20)/t14-/m0/s1.
What are the key properties of 2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide?
2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide has a molecular weight of 305.16 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide is sourced from PubChem (CID 685432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).