N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide

C20H20F2N2O2 — CID 109049038

IUPACN-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCC1CCCN(C(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)C1
InChIInChI=1S/C20H20F2N2O2/c1-13-3-2-10-24(12-13)20(26)15-6-4-14(5-7-15)19(25)23-16-8-9-17(21)18(22)11-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,25)
InChIKeyMWLTXUOHDWGJKQ-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.09
Rot. Bonds3

About N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide

N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide (PubChem CID 109049038) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
PubChem CID109049038
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCC1CCCN(C(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)C1
InChIInChI=1S/C20H20F2N2O2/c1-13-3-2-10-24(12-13)20(26)15-6-4-14(5-7-15)19(25)23-16-8-9-17(21)18(22)11-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,25)
InChIKeyMWLTXUOHDWGJKQ-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-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048988
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046325
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
methyl 4-[3-(3,4-difluoroanilino)piperidine-1-carbonyl]benzoate
CID 24793090
N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056590
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
2-(4-chlorophenyl)-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 45128141

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide (CID 109049038) is N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide is CC1CCCN(C(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide?
The InChIKey is MWLTXUOHDWGJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-13-3-2-10-24(12-13)20(26)15-6-4-14(5-7-15)19(25)23-16-8-9-17(21)18(22)11-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide?
N-(3,4-difluorophenyl)-4-(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-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109049038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).