3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide

C14H20FN3O2 — CID 62662634

IUPAC3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NC(C)C(=O)NC
InChIInChI=1S/C14H20FN3O2/c1-4-8-17-12-10(6-5-7-11(12)15)14(20)18-9(2)13(19)16-3/h5-7,9,17H,4,8H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyHXFNRFIJSPQVLS-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.51
Rot. Bonds6

About 3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide

3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide (PubChem CID 62662634) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
PubChem CID62662634
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NC(C)C(=O)NC
InChIInChI=1S/C14H20FN3O2/c1-4-8-17-12-10(6-5-7-11(12)15)14(20)18-9(2)13(19)16-3/h5-7,9,17H,4,8H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyHXFNRFIJSPQVLS-UHFFFAOYSA-N
XLogP1.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)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

N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 82950249
N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 62660721
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108
N-[2-(dimethylamino)propyl]-3-fluoro-2-(propylamino)benzamide
CID 62660881
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
CID 62650270
3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
CID 55101629
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
CID 63499533
3-fluoro-N-[2-(methanesulfonamido)ethyl]-2-(propylamino)benzamide
CID 62662394

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide?
The IUPAC name of 3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide (CID 62662634) is 3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide?
The canonical SMILES for 3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide is CCCNc1c(F)cccc1C(=O)NC(C)C(=O)NC.
What is the InChIKey of 3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide?
The InChIKey is HXFNRFIJSPQVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-4-8-17-12-10(6-5-7-11(12)15)14(20)18-9(2)13(19)16-3/h5-7,9,17H,4,8H2,1-3H3,(H,16,19)(H,18,20).
What are the key properties of 3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide?
3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide has a molecular weight of 281.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide is sourced from PubChem (CID 62662634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).