2-[(3-chloroanilino)methyl]benzonitrile

C14H11ClN2 — CID 28580577

IUPAC2-[(3-chloroanilino)methyl]benzonitrile
SMILESN#Cc1ccccc1CNc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2/c15-13-6-3-7-14(8-13)17-10-12-5-2-1-4-11(12)9-16/h1-8,17H,10H2
InChIKeyLVQJCDWMFQMXOS-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.82
Rot. Bonds3

About 2-[(3-chloroanilino)methyl]benzonitrile

2-[(3-chloroanilino)methyl]benzonitrile (PubChem CID 28580577) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[(3-chloroanilino)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(3-chloroanilino)methyl]benzonitrile
PubChem CID28580577
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-[(3-chloroanilino)methyl]benzonitrile
SMILESN#Cc1ccccc1CNc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2/c15-13-6-3-7-14(8-13)17-10-12-5-2-1-4-11(12)9-16/h1-8,17H,10H2
InChIKeyLVQJCDWMFQMXOS-UHFFFAOYSA-N
XLogP3.82
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dichloro-4-hydroxyanilino)methyl]benzonitrile
CID 107936058
3-chloro-N-[(2-methylphenyl)methyl]aniline
CID 28513469
2-[(3-chloro-4-methoxyanilino)methyl]benzonitrile
CID 28570636
2-[(4-hydroxy-3-methylanilino)methyl]benzonitrile
CID 114017959
2-[(5-chloro-2-methoxyanilino)methyl]benzonitrile
CID 28578246
2-[(4-bromo-3,5-dimethylanilino)methyl]benzonitrile
CID 107936050
2-[(2,6-dimethylanilino)methyl]benzonitrile
CID 60688762
2-[(3,4,5-trimethoxyanilino)methyl]benzonitrile
CID 43825981
methyl 2-[2-[(3-chloroanilino)methyl]phenyl]acetate
CID 115461452
2-[(quinolin-3-ylamino)methyl]benzonitrile
CID 104694112
2-chloro-4-[(3-chloro-2-fluorophenyl)methylamino]benzonitrile
CID 115658600
4-chloro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 43681545

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloroanilino)methyl]benzonitrile?
The IUPAC name of 2-[(3-chloroanilino)methyl]benzonitrile (CID 28580577) is 2-[(3-chloroanilino)methyl]benzonitrile.
What is the SMILES notation for 2-[(3-chloroanilino)methyl]benzonitrile?
The canonical SMILES for 2-[(3-chloroanilino)methyl]benzonitrile is N#Cc1ccccc1CNc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chloroanilino)methyl]benzonitrile?
The InChIKey is LVQJCDWMFQMXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-13-6-3-7-14(8-13)17-10-12-5-2-1-4-11(12)9-16/h1-8,17H,10H2.
What are the key properties of 2-[(3-chloroanilino)methyl]benzonitrile?
2-[(3-chloroanilino)methyl]benzonitrile has a molecular weight of 242.71 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloroanilino)methyl]benzonitrile is sourced from PubChem (CID 28580577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).