3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide

C16H17FN2O — CID 62813104

IUPAC3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
SMILESCc1cc(NC(=O)CCc2cccc(N)c2)ccc1F
InChIInChI=1S/C16H17FN2O/c1-11-9-14(6-7-15(11)17)19-16(20)8-5-12-3-2-4-13(18)10-12/h2-4,6-7,9-10H,5,8,18H2,1H3,(H,19,20)
InChIKeyUULMJZMKZHKVDS-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.29
Rot. Bonds4

About 3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide

3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide (PubChem CID 62813104) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
PubChem CID62813104
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
SMILESCc1cc(NC(=O)CCc2cccc(N)c2)ccc1F
InChIInChI=1S/C16H17FN2O/c1-11-9-14(6-7-15(11)17)19-16(20)8-5-12-3-2-4-13(18)10-12/h2-4,6-7,9-10H,5,8,18H2,1H3,(H,19,20)
InChIKeyUULMJZMKZHKVDS-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide
CID 43381050
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide
CID 54795617
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 54795255
3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
CID 28713600
4-[3-(3-aminophenyl)propanoylamino]benzenesulfonyl fluoride
CID 139270103
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
CID 54795554
4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 54795591
3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 43309050
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 62058474

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide (CID 62813104) is 3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide is Cc1cc(NC(=O)CCc2cccc(N)c2)ccc1F.
What is the InChIKey of 3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide?
The InChIKey is UULMJZMKZHKVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-9-14(6-7-15(11)17)19-16(20)8-5-12-3-2-4-13(18)10-12/h2-4,6-7,9-10H,5,8,18H2,1H3,(H,19,20).
What are the key properties of 3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide?
3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide has a molecular weight of 272.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide is sourced from PubChem (CID 62813104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).