2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide

C16H14ClN3O — CID 103792073

IUPAC2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNc1ccc(C#N)cc1Cl
InChIInChI=1S/C16H14ClN3O/c1-11-4-2-3-5-14(11)20-16(21)10-19-15-7-6-12(9-18)8-13(15)17/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyYGUNLBQGWVOJHW-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.57
Rot. Bonds4

About 2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide

2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide (PubChem CID 103792073) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide
PubChem CID103792073
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNc1ccc(C#N)cc1Cl
InChIInChI=1S/C16H14ClN3O/c1-11-4-2-3-5-14(11)20-16(21)10-19-15-7-6-12(9-18)8-13(15)17/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyYGUNLBQGWVOJHW-UHFFFAOYSA-N
XLogP3.57
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide
CID 60918679
2-(2-chloro-4-fluoroanilino)-N-(3-cyanophenyl)acetamide
CID 9099516
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide
CID 107807962
1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
CID 62105247
2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide
CID 107808029
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide
CID 107807783

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide (CID 103792073) is 2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CNc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide?
The InChIKey is YGUNLBQGWVOJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-4-2-3-5-14(11)20-16(21)10-19-15-7-6-12(9-18)8-13(15)17/h2-8,19H,10H2,1H3,(H,20,21).
What are the key properties of 2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide?
2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide has a molecular weight of 299.76 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 103792073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).