N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide

C20H19F3N2O2 — CID 7687806

IUPACN-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1N1CCCCC1=O
InChIInChI=1S/C20H19F3N2O2/c1-13-5-10-16(12-17(13)25-11-3-2-4-18(25)26)24-19(27)14-6-8-15(9-7-14)20(21,22)23/h5-10,12H,2-4,11H2,1H3,(H,24,27)
InChIKeyJZHCNHWQLIMWPC-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.78
Rot. Bonds3

About N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide

N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 7687806) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID7687806
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1N1CCCCC1=O
InChIInChI=1S/C20H19F3N2O2/c1-13-5-10-16(12-17(13)25-11-3-2-4-18(25)26)24-19(27)14-6-8-15(9-7-14)20(21,22)23/h5-10,12H,2-4,11H2,1H3,(H,24,27)
InChIKeyJZHCNHWQLIMWPC-UHFFFAOYSA-N
XLogP4.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687739
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686984
4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687807
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 100586215
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686978
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90534935
N'-(3-fluoro-4-methylphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680066

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 7687806) is N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1N1CCCCC1=O.
What is the InChIKey of N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is JZHCNHWQLIMWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-13-5-10-16(12-17(13)25-11-3-2-4-18(25)26)24-19(27)14-6-8-15(9-7-14)20(21,22)23/h5-10,12H,2-4,11H2,1H3,(H,24,27).
What are the key properties of N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 376.38 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 7687806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).