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

C19H18F2N2O2 — CID 7687739

IUPAC3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1N1CCCCC1=O
InChIInChI=1S/C19H18F2N2O2/c1-12-5-7-14(11-17(12)23-9-3-2-4-18(23)24)22-19(25)13-6-8-15(20)16(21)10-13/h5-8,10-11H,2-4,9H2,1H3,(H,22,25)
InChIKeyYODHRFTYAJKZOB-UHFFFAOYSA-N
MW344.36 g/mol
LogP4.04
Rot. Bonds3

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

3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 7687739) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID7687739
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1N1CCCCC1=O
InChIInChI=1S/C19H18F2N2O2/c1-12-5-7-14(11-17(12)23-9-3-2-4-18(23)24)22-19(25)13-6-8-15(20)16(21)10-13/h5-8,10-11H,2-4,9H2,1H3,(H,22,25)
InChIKeyYODHRFTYAJKZOB-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687806
N'-(3-fluoro-4-methylphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680066
4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687807
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-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686984
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
3,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 38117000
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680044
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 100586215
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 7687739) is 3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1N1CCCCC1=O.
What is the InChIKey of 3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is YODHRFTYAJKZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-12-5-7-14(11-17(12)23-9-3-2-4-18(23)24)22-19(25)13-6-8-15(20)16(21)10-13/h5-8,10-11H,2-4,9H2,1H3,(H,22,25).
What are the key properties of 3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide?
3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 344.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 7687739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).