2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile

C15H13ClN2O — CID 62947985

IUPAC2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile
SMILESCOCc1ccccc1Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-19-10-12-4-2-3-5-15(12)18-13-7-6-11(9-17)14(16)8-13/h2-8,18H,10H2,1H3
InChIKeyRKEGFHMQGRWDIG-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.10
Rot. Bonds4

About 2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile

2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile (PubChem CID 62947985) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile
PubChem CID62947985
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile
SMILESCOCc1ccccc1Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-19-10-12-4-2-3-5-15(12)18-13-7-6-11(9-17)14(16)8-13/h2-8,18H,10H2,1H3
InChIKeyRKEGFHMQGRWDIG-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile
CID 55056695
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
2-chloro-4-(2,4-dimethylanilino)benzonitrile
CID 55194599
2-methyl-4-(2-propylanilino)benzonitrile
CID 81281672
2-chloro-4-[1-(2-methoxyphenyl)propan-2-ylamino]benzonitrile
CID 43775110
2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile
CID 55196328
2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile
CID 94473129
4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile
CID 63510934
2-chloro-4-(5-fluoro-2-methylanilino)benzonitrile
CID 55194420
2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 55195753
4-(2-bromo-5-chloroanilino)-2-chlorobenzonitrile
CID 81271577
4-(4-bromo-2,3-dichloroanilino)-2-chlorobenzonitrile
CID 107790842

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile?
The IUPAC name of 2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile (CID 62947985) is 2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile.
What is the SMILES notation for 2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile?
The canonical SMILES for 2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile is COCc1ccccc1Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile?
The InChIKey is RKEGFHMQGRWDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-19-10-12-4-2-3-5-15(12)18-13-7-6-11(9-17)14(16)8-13/h2-8,18H,10H2,1H3.
What are the key properties of 2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile?
2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile has a molecular weight of 272.74 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile is sourced from PubChem (CID 62947985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).