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

C16H17FN2O2 — CID 43381050

IUPAC3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cccc(N)c2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-21-15-7-6-13(10-14(15)17)19-16(20)8-5-11-3-2-4-12(18)9-11/h2-4,6-7,9-10H,5,8,18H2,1H3,(H,19,20)
InChIKeyUNFLDCQOWRQDQZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.99
Rot. Bonds5

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

3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide (PubChem CID 43381050) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide
PubChem CID43381050
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cccc(N)c2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-21-15-7-6-13(10-14(15)17)19-16(20)8-5-11-3-2-4-12(18)9-11/h2-4,6-7,9-10H,5,8,18H2,1H3,(H,19,20)
InChIKeyUNFLDCQOWRQDQZ-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)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-(4-fluoro-3-methylphenyl)propanamide
CID 62813104
3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 46657771
4-(3-aminophenyl)-1-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116603265
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
2-(4-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 43380396
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 54795255
3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
CID 28713600
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
CID 54795554
4-[3-(3-aminophenyl)propanoylamino]benzenesulfonyl fluoride
CID 139270103

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide (CID 43381050) is 3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2cccc(N)c2)cc1F.
What is the InChIKey of 3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide?
The InChIKey is UNFLDCQOWRQDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-15-7-6-13(10-14(15)17)19-16(20)8-5-11-3-2-4-12(18)9-11/h2-4,6-7,9-10H,5,8,18H2,1H3,(H,19,20).
What are the key properties of 3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide?
3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide has a molecular weight of 288.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 43381050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).