4-fluoro-N-(4-oxobutan-2-yl)benzamide

C11H12FNO2 — CID 58870084

IUPAC4-fluoro-N-(4-oxobutan-2-yl)benzamide
SMILESCC(CC=O)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c1-8(6-7-14)13-11(15)9-2-4-10(12)5-3-9/h2-5,7-8H,6H2,1H3,(H,13,15)
InChIKeyQAUMFZFILWETOS-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.53
Rot. Bonds4

About 4-fluoro-N-(4-oxobutan-2-yl)benzamide

4-fluoro-N-(4-oxobutan-2-yl)benzamide (PubChem CID 58870084) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-fluoro-N-(4-oxobutan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-oxobutan-2-yl)benzamide
PubChem CID58870084
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name4-fluoro-N-(4-oxobutan-2-yl)benzamide
SMILESCC(CC=O)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c1-8(6-7-14)13-11(15)9-2-4-10(12)5-3-9/h2-5,7-8H,6H2,1H3,(H,13,15)
InChIKeyQAUMFZFILWETOS-UHFFFAOYSA-N
XLogP1.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
CID 166317910
4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide
CID 25440540
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-oxobutan-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-oxobutan-2-yl)benzamide (CID 58870084) is 4-fluoro-N-(4-oxobutan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-oxobutan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-oxobutan-2-yl)benzamide is CC(CC=O)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-oxobutan-2-yl)benzamide?
The InChIKey is QAUMFZFILWETOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-8(6-7-14)13-11(15)9-2-4-10(12)5-3-9/h2-5,7-8H,6H2,1H3,(H,13,15).
What are the key properties of 4-fluoro-N-(4-oxobutan-2-yl)benzamide?
4-fluoro-N-(4-oxobutan-2-yl)benzamide has a molecular weight of 209.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-oxobutan-2-yl)benzamide is sourced from PubChem (CID 58870084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).