2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide

C16H24FN3O — CID 62661731

IUPAC2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
SMILESCCNc1c(F)cccc1C(=O)NCC1CCCN(C)C1
InChIInChI=1S/C16H24FN3O/c1-3-18-15-13(7-4-8-14(15)17)16(21)19-10-12-6-5-9-20(2)11-12/h4,7-8,12,18H,3,5-6,9-11H2,1-2H3,(H,19,21)
InChIKeyFOLTUXSVJSEBDS-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.33
Rot. Bonds5

About 2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide

2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide (PubChem CID 62661731) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
PubChem CID62661731
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
SMILESCCNc1c(F)cccc1C(=O)NCC1CCCN(C)C1
InChIInChI=1S/C16H24FN3O/c1-3-18-15-13(7-4-8-14(15)17)16(21)19-10-12-6-5-9-20(2)11-12/h4,7-8,12,18H,3,5-6,9-11H2,1-2H3,(H,19,21)
InChIKeyFOLTUXSVJSEBDS-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)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

N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 62660266
2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420575
3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661754
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 113339088
3-fluoro-2-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
[2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62649666
2-fluoro-6-[(1-methylpiperidin-3-yl)methylamino]benzoic acid
CID 79522921
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62181266
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide (CID 62661731) is 2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide is CCNc1c(F)cccc1C(=O)NCC1CCCN(C)C1.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The InChIKey is FOLTUXSVJSEBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-3-18-15-13(7-4-8-14(15)17)16(21)19-10-12-6-5-9-20(2)11-12/h4,7-8,12,18H,3,5-6,9-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide has a molecular weight of 293.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 62661731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).