2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide

C16H14ClN3O — CID 64918984

IUPAC2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(Cl)ccc2C#N)cc1
InChIInChI=1S/C16H14ClN3O/c1-11-2-6-14(7-3-11)20-16(21)10-19-15-8-13(17)5-4-12(15)9-18/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyOACMNUQVSQXDAI-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.57
Rot. Bonds4

About 2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide

2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide (PubChem CID 64918984) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
PubChem CID64918984
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(Cl)ccc2C#N)cc1
InChIInChI=1S/C16H14ClN3O/c1-11-2-6-14(7-3-11)20-16(21)10-19-15-8-13(17)5-4-12(15)9-18/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyOACMNUQVSQXDAI-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

2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
2-(5-chloro-2-cyanoanilino)-N-ethylacetamide
CID 63081915
N-(4-cyanophenyl)-2-(2,5-dichloroanilino)acetamide
CID 26416996
2-(5-chloro-2-cyanoanilino)acetic acid
CID 63081728
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105872
2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 22304049
2-(5-chloro-2-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 64919197
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 87029057

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide (CID 64918984) is 2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2cc(Cl)ccc2C#N)cc1.
What is the InChIKey of 2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide?
The InChIKey is OACMNUQVSQXDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-2-6-14(7-3-11)20-16(21)10-19-15-8-13(17)5-4-12(15)9-18/h2-8,19H,10H2,1H3,(H,20,21).
What are the key properties of 2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide?
2-(5-chloro-2-cyanoanilino)-N-(4-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-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 64918984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).