N-(2-chlorophenyl)-N-(cyanomethyl)benzamide

C15H11ClN2O — CID 10588153

IUPACN-(2-chlorophenyl)-N-(cyanomethyl)benzamide
SMILESN#CCN(C(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H11ClN2O/c16-13-8-4-5-9-14(13)18(11-10-17)15(19)12-6-2-1-3-7-12/h1-9H,11H2
InChIKeyBSQRAWNYTCUOKJ-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.51
Rot. Bonds3

About N-(2-chlorophenyl)-N-(cyanomethyl)benzamide

N-(2-chlorophenyl)-N-(cyanomethyl)benzamide (PubChem CID 10588153) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-(cyanomethyl)benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-(cyanomethyl)benzamide
PubChem CID10588153
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC NameN-(2-chlorophenyl)-N-(cyanomethyl)benzamide
SMILESN#CCN(C(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H11ClN2O/c16-13-8-4-5-9-14(13)18(11-10-17)15(19)12-6-2-1-3-7-12/h1-9H,11H2
InChIKeyBSQRAWNYTCUOKJ-UHFFFAOYSA-N
XLogP3.51
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzoyl-N-(2-chlorophenyl)benzamide
CID 10592933
N-benzyl-4-bromo-3-chloro-N-(cyanomethyl)benzamide
CID 80973098
N-(chloromethyl)-N-(2-chlorophenyl)carbamoyl chloride
CID 13195554
N-but-2-ynyl-N-(2-iodophenyl)benzamide
CID 14943562
N-(cyanomethyl)-3,4-dimethyl-N-phenylbenzamide
CID 82133612
4-chloro-N,N-bis(cyanomethyl)benzamide
CID 728640
carbonic acid;N,N,2-trichloroaniline
CID 175495912
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
N-(cyanomethyl)-N-phenylcyclohexanecarboxamide
CID 82130138
N,N-bis(prop-2-ynyl)benzamide
CID 11790147
4-chloro-N-(cyanomethyl)-N-hydroxybenzamide
CID 168873128
N-(cyanomethyl)-N-(diethoxyphosphorylmethyl)benzamide
CID 13292702

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-(cyanomethyl)benzamide?
The IUPAC name of N-(2-chlorophenyl)-N-(cyanomethyl)benzamide (CID 10588153) is N-(2-chlorophenyl)-N-(cyanomethyl)benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-(cyanomethyl)benzamide?
The canonical SMILES for N-(2-chlorophenyl)-N-(cyanomethyl)benzamide is N#CCN(C(=O)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-(cyanomethyl)benzamide?
The InChIKey is BSQRAWNYTCUOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13-8-4-5-9-14(13)18(11-10-17)15(19)12-6-2-1-3-7-12/h1-9H,11H2.
What are the key properties of N-(2-chlorophenyl)-N-(cyanomethyl)benzamide?
N-(2-chlorophenyl)-N-(cyanomethyl)benzamide has a molecular weight of 270.72 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-(cyanomethyl)benzamide is sourced from PubChem (CID 10588153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).