2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide

C13H12ClF3N2O2 — CID 45241383

IUPAC2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
SMILESCN1CC(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1=O
InChIInChI=1S/C13H12ClF3N2O2/c1-19-6-8(5-11(19)20)18-12(21)9-4-7(13(15,16)17)2-3-10(9)14/h2-4,8H,5-6H2,1H3,(H,18,21)
InChIKeyRGVGWBUADWCYDP-UHFFFAOYSA-N
MW320.70 g/mol
LogP2.32
Rot. Bonds2

About 2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide

2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide (PubChem CID 45241383) has the molecular formula C13H12ClF3N2O2 and a molecular weight of 320.70 g/mol. Its IUPAC name is 2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
PubChem CID45241383
Molecular FormulaC13H12ClF3N2O2
Molecular Weight320.70 g/mol
Exact Mass320.05
IUPAC Name2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
SMILESCN1CC(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1=O
InChIInChI=1S/C13H12ClF3N2O2/c1-19-6-8(5-11(19)20)18-12(21)9-4-7(13(15,16)17)2-3-10(9)14/h2-4,8H,5-6H2,1H3,(H,18,21)
InChIKeyRGVGWBUADWCYDP-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736500
4-bromo-2-chloro-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide
CID 95287363
4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 119184714
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524
(3S)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 95289611
2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 124848979
2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide
CID 167056111
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 90650316
2-chloro-N-[4-[(3,4-dimethylpyrazol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 53358855
N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 88988726
2-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
CID 103765338

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide (CID 45241383) is 2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide is CN1CC(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1=O.
What is the InChIKey of 2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is RGVGWBUADWCYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O2/c1-19-6-8(5-11(19)20)18-12(21)9-4-7(13(15,16)17)2-3-10(9)14/h2-4,8H,5-6H2,1H3,(H,18,21).
What are the key properties of 2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide?
2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 320.70 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 45241383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).