3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide

C17H25FN2O — CID 63499533

IUPAC3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C17H25FN2O/c1-3-12-19-15-13(8-7-9-14(15)18)16(21)20-17(2)10-5-4-6-11-17/h7-9,19H,3-6,10-12H2,1-2H3,(H,20,21)
InChIKeyNOMOYURUMDURJR-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.10
Rot. Bonds5

About 3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide

3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide (PubChem CID 63499533) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
PubChem CID63499533
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C17H25FN2O/c1-3-12-19-15-13(8-7-9-14(15)18)16(21)20-17(2)10-5-4-6-11-17/h7-9,19H,3-6,10-12H2,1-2H3,(H,20,21)
InChIKeyNOMOYURUMDURJR-UHFFFAOYSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-(1-methylcyclohexyl)-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-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
(2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 63219093
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 82950249
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
3-fluoro-N-(1-methylcyclopentyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386620
[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 62648575
3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide
CID 113491319
N-[2-(dimethylamino)propyl]-3-fluoro-2-(propylamino)benzamide
CID 62660881
3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 62662634
5-methyl-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
CID 63499534
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide?
The IUPAC name of 3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide (CID 63499533) is 3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide.
What is the SMILES notation for 3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide?
The canonical SMILES for 3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide is CCCNc1c(F)cccc1C(=O)NC1(C)CCCCC1.
What is the InChIKey of 3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide?
The InChIKey is NOMOYURUMDURJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-12-19-15-13(8-7-9-14(15)18)16(21)20-17(2)10-5-4-6-11-17/h7-9,19H,3-6,10-12H2,1-2H3,(H,20,21).
What are the key properties of 3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide?
3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide has a molecular weight of 292.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide is sourced from PubChem (CID 63499533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).