N-butyl-4-(2-fluorophenyl)-4-oxobutanamide

C14H18FNO2 — CID 110406683

IUPACN-butyl-4-(2-fluorophenyl)-4-oxobutanamide
SMILESCCCCNC(=O)CCC(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-2-3-10-16-14(18)9-8-13(17)11-6-4-5-7-12(11)15/h4-7H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyJJUSKDXBYBVCQQ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.70
Rot. Bonds7

About N-butyl-4-(2-fluorophenyl)-4-oxobutanamide

N-butyl-4-(2-fluorophenyl)-4-oxobutanamide (PubChem CID 110406683) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-butyl-4-(2-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-butyl-4-(2-fluorophenyl)-4-oxobutanamide
PubChem CID110406683
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-butyl-4-(2-fluorophenyl)-4-oxobutanamide
SMILESCCCCNC(=O)CCC(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-2-3-10-16-14(18)9-8-13(17)11-6-4-5-7-12(11)15/h4-7H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyJJUSKDXBYBVCQQ-UHFFFAOYSA-N
XLogP2.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-4-(2-fluorophenyl)-4-oxobutanamide 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

4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110407748
4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide
CID 110414975
4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
CID 110411259
1-(2-fluorophenyl)octane-1,3-dione
CID 43138821
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108538205
N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110622036
N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide
CID 110627612
2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037419
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
1-(2-fluorophenyl)pentane-1,3-dione
CID 28896114
N-butyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389809

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-butyl-4-(2-fluorophenyl)-4-oxobutanamide (CID 110406683) is N-butyl-4-(2-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-butyl-4-(2-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-butyl-4-(2-fluorophenyl)-4-oxobutanamide is CCCCNC(=O)CCC(=O)c1ccccc1F.
What is the InChIKey of N-butyl-4-(2-fluorophenyl)-4-oxobutanamide?
The InChIKey is JJUSKDXBYBVCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-3-10-16-14(18)9-8-13(17)11-6-4-5-7-12(11)15/h4-7H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of N-butyl-4-(2-fluorophenyl)-4-oxobutanamide?
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide has a molecular weight of 251.30 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 110406683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).