3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide

C13H17FN2O3 — CID 9163422

IUPAC3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H17FN2O3/c1-3-6-15-12(17)8-16-13(18)9-4-5-11(19-2)10(14)7-9/h4-5,7H,3,6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQZPSHBURZZLXOI-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.09
Rot. Bonds6

About 3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide

3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 9163422) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID9163422
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H17FN2O3/c1-3-6-15-12(17)8-16-13(18)9-4-5-11(19-2)10(14)7-9/h4-5,7H,3,6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQZPSHBURZZLXOI-UHFFFAOYSA-N
XLogP1.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide 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

3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429
3-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115597601
2,4,5-trimethoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163070
3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide
CID 18162820
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide
CID 59689128
N-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614609

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 9163422) is 3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CNC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is QZPSHBURZZLXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-3-6-15-12(17)8-16-13(18)9-4-5-11(19-2)10(14)7-9/h4-5,7H,3,6,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 268.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 9163422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).