5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile

C15H13ClN2O — CID 65336198

IUPAC5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNc2ccccc2Cl)cc1C#N
InChIInChI=1S/C15H13ClN2O/c1-19-15-7-6-11(8-12(15)9-17)10-18-14-5-3-2-4-13(14)16/h2-8,18H,10H2,1H3
InChIKeyDTNMSIUGIGTHCK-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.83
Rot. Bonds4

About 5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile

5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile (PubChem CID 65336198) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile
PubChem CID65336198
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNc2ccccc2Cl)cc1C#N
InChIInChI=1S/C15H13ClN2O/c1-19-15-7-6-11(8-12(15)9-17)10-18-14-5-3-2-4-13(14)16/h2-8,18H,10H2,1H3
InChIKeyDTNMSIUGIGTHCK-UHFFFAOYSA-N
XLogP3.83
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile 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

5-[[(2-chloro-3-pyridinyl)amino]methyl]-2-methoxybenzonitrile
CID 65340847
5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile
CID 65340609
5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile
CID 65336194
5-[(3-chloro-4-cyanoanilino)methyl]-2-methoxybenzonitrile
CID 65336304
5-[(2,6-dichloro-4-fluoroanilino)methyl]-2-methoxybenzonitrile
CID 83078187
5-[[(6-chloro-2-methyl-3-pyridinyl)amino]methyl]-2-methoxybenzonitrile
CID 107266262
5-[(5-bromo-2-methoxyanilino)methyl]-2-methoxybenzonitrile
CID 65341007
2-methoxy-4-[(2-methylsulfanylanilino)methyl]benzonitrile
CID 107644712
5-[(2,5-dimethylanilino)methyl]-2-methoxybenzonitrile
CID 65335959
5-[(2,5-dibromoanilino)methyl]-2-methoxybenzonitrile
CID 65341283
5-[(2,5-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 65336388
5-[(2-bromo-4-cyanoanilino)methyl]-2-methoxybenzonitrile
CID 65341093

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile (CID 65336198) is 5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile is COc1ccc(CNc2ccccc2Cl)cc1C#N.
What is the InChIKey of 5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile?
The InChIKey is DTNMSIUGIGTHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-19-15-7-6-11(8-12(15)9-17)10-18-14-5-3-2-4-13(14)16/h2-8,18H,10H2,1H3.
What are the key properties of 5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile?
5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile has a molecular weight of 272.74 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65336198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).