N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide

C15H21F2N3O — CID 63185168

IUPACN-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCCN1CCCC(NC(=O)c2cc(F)c(NC)c(F)c2)C1
InChIInChI=1S/C15H21F2N3O/c1-3-20-6-4-5-11(9-20)19-15(21)10-7-12(16)14(18-2)13(17)8-10/h7-8,11,18H,3-6,9H2,1-2H3,(H,19,21)
InChIKeyNXEYKDLJZSGQHP-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.22
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide

N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide (PubChem CID 63185168) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide
PubChem CID63185168
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC NameN-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCCN1CCCC(NC(=O)c2cc(F)c(NC)c(F)c2)C1
InChIInChI=1S/C15H21F2N3O/c1-3-20-6-4-5-11(9-20)19-15(21)10-7-12(16)14(18-2)13(17)8-10/h7-8,11,18H,3-6,9H2,1-2H3,(H,19,21)
InChIKeyNXEYKDLJZSGQHP-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187586
3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185967
3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide
CID 113460717
N-(1-ethylpiperidin-3-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62175971
N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232
3-amino-4-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170156
5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 103296207
3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide
CID 113239291
3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide
CID 61169768
N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide
CID 113323521
N-(1-ethylpiperidin-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61169040

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide (CID 63185168) is N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide is CCN1CCCC(NC(=O)c2cc(F)c(NC)c(F)c2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide?
The InChIKey is NXEYKDLJZSGQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-3-20-6-4-5-11(9-20)19-15(21)10-7-12(16)14(18-2)13(17)8-10/h7-8,11,18H,3-6,9H2,1-2H3,(H,19,21).
What are the key properties of N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide?
N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide has a molecular weight of 297.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide is sourced from PubChem (CID 63185168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).