4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide

C16H17FN2O — CID 94281790

IUPAC4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide
SMILESNc1cccc(CCCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H17FN2O/c17-14-8-1-2-9-15(14)19-16(20)10-4-6-12-5-3-7-13(18)11-12/h1-3,5,7-9,11H,4,6,10,18H2,(H,19,20)
InChIKeyLOWIMTHZVZEWAP-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.37
Rot. Bonds5

About 4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide

4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide (PubChem CID 94281790) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide
PubChem CID94281790
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide
SMILESNc1cccc(CCCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H17FN2O/c17-14-8-1-2-9-15(14)19-16(20)10-4-6-12-5-3-7-13(18)11-12/h1-3,5,7-9,11H,4,6,10,18H2,(H,19,20)
InChIKeyLOWIMTHZVZEWAP-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
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-(3-aminophenyl)propanoylamino]benzoic acid
CID 115341270
3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide
CID 102852363
N-(2-fluorophenyl)-5-hydroxypentanamide
CID 79019059
3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide
CID 28713636
1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea
CID 71670525
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804
4-(3-aminophenyl)butanoic acid;hydrochloride
CID 11715486
4-(3-aminophenyl)-N-(2-methylpropyl)butanamide
CID 94262385
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
N'-(2-fluorophenyl)propanediamide
CID 70002209
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide?
The IUPAC name of 4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide (CID 94281790) is 4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide.
What is the SMILES notation for 4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide?
The canonical SMILES for 4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide is Nc1cccc(CCCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of 4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide?
The InChIKey is LOWIMTHZVZEWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-14-8-1-2-9-15(14)19-16(20)10-4-6-12-5-3-7-13(18)11-12/h1-3,5,7-9,11H,4,6,10,18H2,(H,19,20).
What are the key properties of 4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide?
4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide has a molecular weight of 272.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide is sourced from PubChem (CID 94281790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).