4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide

C15H19FN2O3 — CID 119450584

IUPAC4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NC2CCNC2)cc1F
InChIInChI=1S/C15H19FN2O3/c1-21-14-4-2-10(8-12(14)16)13(19)3-5-15(20)18-11-6-7-17-9-11/h2,4,8,11,17H,3,5-7,9H2,1H3,(H,18,20)
InChIKeyNBCDJVLEJYXBEG-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.28
Rot. Bonds6

About 4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide

4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide (PubChem CID 119450584) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide
PubChem CID119450584
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NC2CCNC2)cc1F
InChIInChI=1S/C15H19FN2O3/c1-21-14-4-2-10(8-12(14)16)13(19)3-5-15(20)18-11-6-7-17-9-11/h2,4,8,11,17H,3,5-7,9H2,1H3,(H,18,20)
InChIKeyNBCDJVLEJYXBEG-UHFFFAOYSA-N
XLogP1.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]cyclooctane-1-carboxylic acid
CID 120688810
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
CID 119426453
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
4-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 119352903
1-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpyrrolidin-1-yl)butane-1,4-dione
CID 120994324
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide
CID 119626874
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide (CID 119450584) is 4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide is COc1ccc(C(=O)CCC(=O)NC2CCNC2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide?
The InChIKey is NBCDJVLEJYXBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-21-14-4-2-10(8-12(14)16)13(19)3-5-15(20)18-11-6-7-17-9-11/h2,4,8,11,17H,3,5-7,9H2,1H3,(H,18,20).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide?
4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide has a molecular weight of 294.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 119450584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).