4-chloro-2-(2-ethoxyanilino)benzonitrile

C15H13ClN2O — CID 63517459

IUPAC4-chloro-2-(2-ethoxyanilino)benzonitrile
SMILESCCOc1ccccc1Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C15H13ClN2O/c1-2-19-15-6-4-3-5-13(15)18-14-9-12(16)8-7-11(14)10-17/h3-9,18H,2H2,1H3
InChIKeyMGUHYIGLIVGINK-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.35
Rot. Bonds4

About 4-chloro-2-(2-ethoxyanilino)benzonitrile

4-chloro-2-(2-ethoxyanilino)benzonitrile (PubChem CID 63517459) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-chloro-2-(2-ethoxyanilino)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(2-ethoxyanilino)benzonitrile
PubChem CID63517459
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name4-chloro-2-(2-ethoxyanilino)benzonitrile
SMILESCCOc1ccccc1Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C15H13ClN2O/c1-2-19-15-6-4-3-5-13(15)18-14-9-12(16)8-7-11(14)10-17/h3-9,18H,2H2,1H3
InChIKeyMGUHYIGLIVGINK-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
CID 54938370
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
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4-chloro-2-(2,5-dichloroanilino)benzonitrile
CID 55194781
4-chloro-2-(2,3-difluoroanilino)benzonitrile
CID 63093409
2-(3,4-diethoxyanilino)benzonitrile
CID 28601733
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
2-(2-ethoxyanilino)pyridine-4-carbonitrile
CID 24704594
2-[[4-(2-ethoxyanilino)pyrimidin-2-yl]amino]benzonitrile
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2-(2-amino-5-chloroanilino)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethoxyanilino)benzonitrile?
The IUPAC name of 4-chloro-2-(2-ethoxyanilino)benzonitrile (CID 63517459) is 4-chloro-2-(2-ethoxyanilino)benzonitrile.
What is the SMILES notation for 4-chloro-2-(2-ethoxyanilino)benzonitrile?
The canonical SMILES for 4-chloro-2-(2-ethoxyanilino)benzonitrile is CCOc1ccccc1Nc1cc(Cl)ccc1C#N.
What is the InChIKey of 4-chloro-2-(2-ethoxyanilino)benzonitrile?
The InChIKey is MGUHYIGLIVGINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-2-19-15-6-4-3-5-13(15)18-14-9-12(16)8-7-11(14)10-17/h3-9,18H,2H2,1H3.
What are the key properties of 4-chloro-2-(2-ethoxyanilino)benzonitrile?
4-chloro-2-(2-ethoxyanilino)benzonitrile has a molecular weight of 272.74 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethoxyanilino)benzonitrile is sourced from PubChem (CID 63517459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).