N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide

C14H17FN2O2 — CID 54867208

IUPACN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C14H17FN2O2/c1-10(18)8-14(19)16-11-4-5-13(12(15)9-11)17-6-2-3-7-17/h4-5,9H,2-3,6-8H2,1H3,(H,16,19)
InChIKeyCXZBZCDKFLEGJW-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.34
Rot. Bonds4

About N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide (PubChem CID 54867208) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
PubChem CID54867208
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C14H17FN2O2/c1-10(18)8-14(19)16-11-4-5-13(12(15)9-11)17-6-2-3-7-17/h4-5,9H,2-3,6-8H2,1H3,(H,16,19)
InChIKeyCXZBZCDKFLEGJW-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-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

N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286665
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
1,1-diethyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)urea
CID 47264836
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(2-methylpropyl)urea
CID 47264829
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792
4-(3,4-dimethylphenyl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-oxobutanamide
CID 55945815
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 139018785

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide?
The IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide (CID 54867208) is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide.
What is the SMILES notation for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide?
The canonical SMILES for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide is CC(=O)CC(=O)Nc1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide?
The InChIKey is CXZBZCDKFLEGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-10(18)8-14(19)16-11-4-5-13(12(15)9-11)17-6-2-3-7-17/h4-5,9H,2-3,6-8H2,1H3,(H,16,19).
What are the key properties of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide?
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide has a molecular weight of 264.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide is sourced from PubChem (CID 54867208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).