2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide

C13H14ClFN2O2 — CID 99840815

IUPAC2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide
SMILESCN1CC[C@@H](NC(=O)c2cccc(F)c2Cl)CC1=O
InChIInChI=1S/C13H14ClFN2O2/c1-17-6-5-8(7-11(17)18)16-13(19)9-3-2-4-10(15)12(9)14/h2-4,8H,5-7H2,1H3,(H,16,19)/t8-/m1/s1
InChIKeyAWKVUGUWJKKHKG-MRVPVSSYSA-N
MW284.72 g/mol
LogP1.83
Rot. Bonds2

About 2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide

2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide (PubChem CID 99840815) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide
PubChem CID99840815
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Name2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide
SMILESCN1CC[C@@H](NC(=O)c2cccc(F)c2Cl)CC1=O
InChIInChI=1S/C13H14ClFN2O2/c1-17-6-5-8(7-11(17)18)16-13(19)9-3-2-4-10(15)12(9)14/h2-4,8H,5-7H2,1H3,(H,16,19)/t8-/m1/s1
InChIKeyAWKVUGUWJKKHKG-MRVPVSSYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
3-[(2-chloro-3-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81454437
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755
2-chloro-3-fluoro-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]benzamide
CID 146136529
2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114164962
3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 112575976
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 136582734
N-[2-(bromomethyl)cyclohexyl]-2-chloro-3-fluorobenzamide
CID 106367046
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide (CID 99840815) is 2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide is CN1CC[C@@H](NC(=O)c2cccc(F)c2Cl)CC1=O.
What is the InChIKey of 2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide?
The InChIKey is AWKVUGUWJKKHKG-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c1-17-6-5-8(7-11(17)18)16-13(19)9-3-2-4-10(15)12(9)14/h2-4,8H,5-7H2,1H3,(H,16,19)/t8-/m1/s1.
What are the key properties of 2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide?
2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide has a molecular weight of 284.72 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide is sourced from PubChem (CID 99840815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).