2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide

C15H15ClN2O — CID 106590705

IUPAC2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)c1cccc(N)c1
InChIInChI=1S/C15H15ClN2O/c1-10(11-3-2-4-13(17)9-11)15(19)18-14-7-5-12(16)6-8-14/h2-10H,17H2,1H3,(H,18,19)
InChIKeyGRZCBRZVLVIBDU-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.66
Rot. Bonds3

About 2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide

2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide (PubChem CID 106590705) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
PubChem CID106590705
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)c1cccc(N)c1
InChIInChI=1S/C15H15ClN2O/c1-10(11-3-2-4-13(17)9-11)15(19)18-14-7-5-12(16)6-8-14/h2-10H,17H2,1H3,(H,18,19)
InChIKeyGRZCBRZVLVIBDU-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
CID 106590702
2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide
CID 106590860
2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
CID 106590704
2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide
CID 106591868
2-(3-aminophenyl)-N-(2-chloro-6-methylphenyl)propanamide
CID 106591588
2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 106590698
2-[2-(3-aminophenyl)propanoylamino]benzamide
CID 106590933
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide
CID 106591393
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
(2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 100913472

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide (CID 106590705) is 2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide is CC(C(=O)Nc1ccc(Cl)cc1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide?
The InChIKey is GRZCBRZVLVIBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10(11-3-2-4-13(17)9-11)15(19)18-14-7-5-12(16)6-8-14/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide?
2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide has a molecular weight of 274.75 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 106590705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).