N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide

C16H13ClN2O — CID 82178844

IUPACN-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide
SMILESN#CCc1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClN2O/c17-15-4-2-1-3-14(15)11-19-16(20)13-7-5-12(6-8-13)9-10-18/h1-8H,9,11H2,(H,19,20)
InChIKeyQSKOZGHXLXGSGL-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.34
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide (PubChem CID 82178844) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide
PubChem CID82178844
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide
SMILESN#CCc1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClN2O/c17-15-4-2-1-3-14(15)11-19-16(20)13-7-5-12(6-8-13)9-10-18/h1-8H,9,11H2,(H,19,20)
InChIKeyQSKOZGHXLXGSGL-UHFFFAOYSA-N
XLogP3.34
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(2-chlorophenyl)methyl]-4-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109047331
[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 138991708
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
4-(cyanomethyl)-N-ethylbenzamide
CID 82178780
1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide
CID 39724720
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 5127187
4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
CID 109047312
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109047321
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17471917
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054654
N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54843826

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide (CID 82178844) is N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide is N#CCc1ccc(C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide?
The InChIKey is QSKOZGHXLXGSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-15-4-2-1-3-14(15)11-19-16(20)13-7-5-12(6-8-13)9-10-18/h1-8H,9,11H2,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide?
N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide has a molecular weight of 284.75 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide is sourced from PubChem (CID 82178844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).