3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide

C16H14ClN3O — CID 109038248

IUPAC3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCNc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c17-13-5-7-14(8-6-13)19-10-9-16(21)20-15-4-2-1-3-12(15)11-18/h1-8,19H,9-10H2,(H,20,21)
InChIKeyPLHUCUOKGORQGJ-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.65
Rot. Bonds5

About 3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide

3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide (PubChem CID 109038248) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide
PubChem CID109038248
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCNc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c17-13-5-7-14(8-6-13)19-10-9-16(21)20-15-4-2-1-3-12(15)11-18/h1-8,19H,9-10H2,(H,20,21)
InChIKeyPLHUCUOKGORQGJ-UHFFFAOYSA-N
XLogP3.65
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide
CID 109038857
3-(4-cyanoanilino)-N-(2-cyanophenyl)propanamide
CID 109042807
N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
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3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
CID 109042814
N-(2-cyanophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109042363
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide
CID 65292791
2-[[3-(2-cyanoanilino)-3-oxopropyl]amino]-2-methylpropanoic acid
CID 65263681
3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109038195
2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide
CID 109010015
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
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3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109036006

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide?
The IUPAC name of 3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide (CID 109038248) is 3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide is N#Cc1ccccc1NC(=O)CCNc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide?
The InChIKey is PLHUCUOKGORQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-5-7-14(8-6-13)19-10-9-16(21)20-15-4-2-1-3-12(15)11-18/h1-8,19H,9-10H2,(H,20,21).
What are the key properties of 3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide?
3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide has a molecular weight of 299.76 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 109038248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).