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

C15H15ClN2O — CID 28713936

IUPAC3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
SMILESNc1ccccc1CCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O/c16-12-6-8-13(9-7-12)18-15(19)10-5-11-3-1-2-4-14(11)17/h1-4,6-9H,5,10,17H2,(H,18,19)
InChIKeyBLBYYXSUASHLFA-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.49
Rot. Bonds4

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

3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide (PubChem CID 28713936) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
PubChem CID28713936
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
SMILESNc1ccccc1CCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O/c16-12-6-8-13(9-7-12)18-15(19)10-5-11-3-1-2-4-14(11)17/h1-4,6-9H,5,10,17H2,(H,18,19)
InChIKeyBLBYYXSUASHLFA-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.49
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

3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 107272723
3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide
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3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28714106
3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide
CID 120611492
3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
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3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride
CID 120608128
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 120608825
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
CID 120608448
methyl 3-[4-[3-(2-aminophenyl)propanoylamino]phenoxy]propanoate
CID 120610132
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CID 107272917

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide (CID 28713936) is 3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide is Nc1ccccc1CCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide?
The InChIKey is BLBYYXSUASHLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-12-6-8-13(9-7-12)18-15(19)10-5-11-3-1-2-4-14(11)17/h1-4,6-9H,5,10,17H2,(H,18,19).
What are the key properties of 3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide?
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide has a molecular weight of 274.75 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 28713936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).