3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide

C13H19FN2O — CID 55101629

IUPAC3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(F)c1NC
InChIInChI=1S/C13H19FN2O/c1-4-6-9(2)16-13(17)10-7-5-8-11(14)12(10)15-3/h5,7-9,15H,4,6H2,1-3H3,(H,16,17)
InChIKeyDRXSJTJIPMYHGQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.79
Rot. Bonds5

About 3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide

3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide (PubChem CID 55101629) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
PubChem CID55101629
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(F)c1NC
InChIInChI=1S/C13H19FN2O/c1-4-6-9(2)16-13(17)10-7-5-8-11(14)12(10)15-3/h5,7-9,15H,4,6H2,1-3H3,(H,16,17)
InChIKeyDRXSJTJIPMYHGQ-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide 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-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027972
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64641542
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide
CID 62662116
2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
CID 62662293
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727
N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 62660721
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide
CID 64604122
N-(dicyclopropylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662473
N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 82950249
N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide
CID 113478177
3-(methylamino)-2-nitro-N-pentan-2-ylbenzamide
CID 115548112

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide (CID 55101629) is 3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1cccc(F)c1NC.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide?
The InChIKey is DRXSJTJIPMYHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-6-9(2)16-13(17)10-7-5-8-11(14)12(10)15-3/h5,7-9,15H,4,6H2,1-3H3,(H,16,17).
What are the key properties of 3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide?
3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide has a molecular weight of 238.31 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide is sourced from PubChem (CID 55101629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).