2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile

C15H13ClN2O2 — CID 81299476

IUPAC2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Nc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C15H13ClN2O2/c1-19-12-5-3-10(9-17)14(8-12)18-11-4-6-15(20-2)13(16)7-11/h3-8,18H,1-2H3
InChIKeyPYEQTEOXRBZWET-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.97
Rot. Bonds4

About 2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile

2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile (PubChem CID 81299476) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile
PubChem CID81299476
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Nc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C15H13ClN2O2/c1-19-12-5-3-10(9-17)14(8-12)18-11-4-6-15(20-2)13(16)7-11/h3-8,18H,1-2H3
InChIKeyPYEQTEOXRBZWET-UHFFFAOYSA-N
XLogP3.97
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-methoxyanilino)-4-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

2-(3-chloro-4-methoxyanilino)-4-methylbenzonitrile
CID 62302270
2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile
CID 55231919
2-(3-chloro-4-methoxyanilino)-7-methoxyquinoline-3-carbonitrile
CID 5164967
4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile
CID 107621927
2-(3-fluoro-4-methylanilino)-4-methoxybenzonitrile
CID 81299578
2-(3,5-difluoroanilino)-4-methoxybenzonitrile
CID 81300164
4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile
CID 81296556
2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile
CID 107606692
2-(3-ethynylanilino)-4-methoxybenzonitrile
CID 81299122
4-(2-bromo-5-methoxyanilino)-2-methylbenzonitrile
CID 81282666
4-bromo-2-(3-fluoro-4-methoxyanilino)benzonitrile
CID 114901444
N-(3-chloro-4-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798244

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile (CID 81299476) is 2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile is COc1ccc(C#N)c(Nc2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile?
The InChIKey is PYEQTEOXRBZWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-19-12-5-3-10(9-17)14(8-12)18-11-4-6-15(20-2)13(16)7-11/h3-8,18H,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile?
2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile has a molecular weight of 288.73 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile is sourced from PubChem (CID 81299476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).