N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide

C20H20F2N2O2 — CID 109056590

IUPACN-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCC1CCCN(C(=O)c2cccc(C(=O)Nc3c(F)cccc3F)c2)C1
InChIInChI=1S/C20H20F2N2O2/c1-13-5-4-10-24(12-13)20(26)15-7-2-6-14(11-15)19(25)23-18-16(21)8-3-9-17(18)22/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,23,25)
InChIKeyVGWISOMKEGUANS-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.09
Rot. Bonds3

About N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide

N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide (PubChem CID 109056590) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
PubChem CID109056590
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCC1CCCN(C(=O)c2cccc(C(=O)Nc3c(F)cccc3F)c2)C1
InChIInChI=1S/C20H20F2N2O2/c1-13-5-4-10-24(12-13)20(26)15-7-2-6-14(11-15)19(25)23-18-16(21)8-3-9-17(18)22/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,23,25)
InChIKeyVGWISOMKEGUANS-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109050747
N-(2,5-dichlorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056580
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109055423
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056550
N-(2-fluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090390
3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109055941
N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109049038
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150123

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide (CID 109056590) is N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide is CC1CCCN(C(=O)c2cccc(C(=O)Nc3c(F)cccc3F)c2)C1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide?
The InChIKey is VGWISOMKEGUANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-13-5-4-10-24(12-13)20(26)15-7-2-6-14(11-15)19(25)23-18-16(21)8-3-9-17(18)22/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,23,25).
What are the key properties of N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide?
N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide has a molecular weight of 358.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109056590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).