3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide

C11H12FNO3 — CID 64997274

IUPAC3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)=O)cc1F
InChIInChI=1S/C11H12FNO3/c1-7(14)6-13-11(15)8-3-4-10(16-2)9(12)5-8/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyPGSKXZVOTINYIF-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.15
Rot. Bonds4

About 3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide

3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide (PubChem CID 64997274) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
PubChem CID64997274
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)=O)cc1F
InChIInChI=1S/C11H12FNO3/c1-7(14)6-13-11(15)8-3-4-10(16-2)9(12)5-8/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyPGSKXZVOTINYIF-UHFFFAOYSA-N
XLogP1.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163422
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172564
N-(3-chloro-2-methylpropyl)-3-fluoro-4-methoxybenzamide
CID 114302762
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
3,4,5-trifluoro-N-(2-oxopropyl)benzamide
CID 64997335

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide (CID 64997274) is 3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide is COc1ccc(C(=O)NCC(C)=O)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide?
The InChIKey is PGSKXZVOTINYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-7(14)6-13-11(15)8-3-4-10(16-2)9(12)5-8/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of 3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide?
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide has a molecular weight of 225.22 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 64997274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).