4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide

C14H18FNO3 — CID 110407748

IUPAC4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
SMILESCOCCCNC(=O)CCC(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-19-10-4-9-16-14(18)8-7-13(17)11-5-2-3-6-12(11)15/h2-3,5-6H,4,7-10H2,1H3,(H,16,18)
InChIKeyJXMNKMFFBKBZBN-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.94
Rot. Bonds8

About 4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide

4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide (PubChem CID 110407748) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
PubChem CID110407748
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
SMILESCOCCCNC(=O)CCC(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-19-10-4-9-16-14(18)8-7-13(17)11-5-2-3-6-12(11)15/h2-3,5-6H,4,7-10H2,1H3,(H,16,18)
InChIKeyJXMNKMFFBKBZBN-UHFFFAOYSA-N
XLogP1.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide
CID 110414975
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 109015344
4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
CID 110411259
5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 110298068
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108538205
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide
CID 110627612
4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 94041532

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide (CID 110407748) is 4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide is COCCCNC(=O)CCC(=O)c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide?
The InChIKey is JXMNKMFFBKBZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-19-10-4-9-16-14(18)8-7-13(17)11-5-2-3-6-12(11)15/h2-3,5-6H,4,7-10H2,1H3,(H,16,18).
What are the key properties of 4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide?
4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide has a molecular weight of 267.30 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide is sourced from PubChem (CID 110407748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).