3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide

C16H17FN2O — CID 43309221

IUPAC3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
SMILESNc1cccc(CCC(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O/c17-14-5-1-4-13(9-14)11-19-16(20)8-7-12-3-2-6-15(18)10-12/h1-6,9-10H,7-8,11,18H2,(H,19,20)
InChIKeyOUXNWDVQMRISRV-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.66
Rot. Bonds5

About 3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide

3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide (PubChem CID 43309221) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
PubChem CID43309221
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
SMILESNc1cccc(CCC(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O/c17-14-5-1-4-13(9-14)11-19-16(20)8-7-12-3-2-6-15(18)10-12/h1-6,9-10H,7-8,11,18H2,(H,19,20)
InChIKeyOUXNWDVQMRISRV-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.66
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

3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 28713362
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one
CID 82117867
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 62995351
3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737950
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide
CID 115271381
3-(3-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]propanamide
CID 97078264
3-(3-aminophenyl)-N-(2-methylsulfinylethyl)propanamide
CID 113479619
3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide
CID 97078263

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide (CID 43309221) is 3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide is Nc1cccc(CCC(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide?
The InChIKey is OUXNWDVQMRISRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-14-5-1-4-13(9-14)11-19-16(20)8-7-12-3-2-6-15(18)10-12/h1-6,9-10H,7-8,11,18H2,(H,19,20).
What are the key properties of 3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide?
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide has a molecular weight of 272.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 43309221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).