2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide

C16H14ClN3O — CID 106590860

IUPAC2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(N)c1
InChIInChI=1S/C16H14ClN3O/c1-10(11-3-2-4-13(19)7-11)16(21)20-14-6-5-12(9-18)15(17)8-14/h2-8,10H,19H2,1H3,(H,20,21)
InChIKeyCQHYHAJVDITIHI-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.54
Rot. Bonds3

About 2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide

2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide (PubChem CID 106590860) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide
PubChem CID106590860
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(N)c1
InChIInChI=1S/C16H14ClN3O/c1-10(11-3-2-4-13(19)7-11)16(21)20-14-6-5-12(9-18)15(17)8-14/h2-8,10H,19H2,1H3,(H,20,21)
InChIKeyCQHYHAJVDITIHI-UHFFFAOYSA-N
XLogP3.54
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 106590705
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide
CID 61149344
2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
CID 106590704
2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
CID 106590702
(2S)-2-amino-N-(3-chloro-4-cyanophenyl)-3,3-dimethylbutanamide
CID 61149342
2-(3-aminophenyl)-N-(2-chloro-6-methylphenyl)propanamide
CID 106591588
1-(4-aminophenyl)-3-(3-chloro-4-cyanophenyl)urea
CID 43469099
2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide
CID 106591868
(2S)-N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)propanamide
CID 67012255
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191756
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782364

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide (CID 106590860) is 2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide is CC(C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide?
The InChIKey is CQHYHAJVDITIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10(11-3-2-4-13(19)7-11)16(21)20-14-6-5-12(9-18)15(17)8-14/h2-8,10H,19H2,1H3,(H,20,21).
What are the key properties of 2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide?
2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide has a molecular weight of 299.76 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide is sourced from PubChem (CID 106590860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).