3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide

C13H18FN3O2 — CID 43567385

IUPAC3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide
SMILESCCCNC(=O)CNCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C13H18FN3O2/c1-2-5-17-12(18)8-16-7-10-4-3-9(13(15)19)6-11(10)14/h3-4,6,16H,2,5,7-8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyNWAPAIDGCVKOFY-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.54
Rot. Bonds7

About 3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide

3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide (PubChem CID 43567385) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide
PubChem CID43567385
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide
SMILESCCCNC(=O)CNCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C13H18FN3O2/c1-2-5-17-12(18)8-16-7-10-4-3-9(13(15)19)6-11(10)14/h3-4,6,16H,2,5,7-8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyNWAPAIDGCVKOFY-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]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

4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-3-fluorobenzamide
CID 43566993
4-[[3-(dimethylamino)propylamino]methyl]-3-fluorobenzamide
CID 28583705
2-[[4-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]methylamino]-N-propylacetamide
CID 77027983
3-fluoro-4-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]benzamide
CID 79552109
4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide
CID 43567882
3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
CID 79357949
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide
CID 62118950
3-fluoro-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 114515450
3-fluoro-4-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]benzamide
CID 106310179
4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide
CID 113475198
2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide
CID 66158893

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide?
The IUPAC name of 3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide (CID 43567385) is 3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide is CCCNC(=O)CNCc1ccc(C(N)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide?
The InChIKey is NWAPAIDGCVKOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-5-17-12(18)8-16-7-10-4-3-9(13(15)19)6-11(10)14/h3-4,6,16H,2,5,7-8H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide?
3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide has a molecular weight of 267.30 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 43567385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).