2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide

C14H14ClF3N2O2 — CID 90650316

IUPAC2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCCN1CCCC1=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H14ClF3N2O2/c15-11-4-3-9(14(16,17)18)8-10(11)13(22)19-5-7-20-6-1-2-12(20)21/h3-4,8H,1-2,5-7H2,(H,19,22)
InChIKeyHGJFQNVNRCKRJK-UHFFFAOYSA-N
MW334.73 g/mol
LogP2.71
Rot. Bonds4

About 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide (PubChem CID 90650316) has the molecular formula C14H14ClF3N2O2 and a molecular weight of 334.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
PubChem CID90650316
Molecular FormulaC14H14ClF3N2O2
Molecular Weight334.73 g/mol
Exact Mass334.07
IUPAC Name2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCCN1CCCC1=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H14ClF3N2O2/c15-11-4-3-9(14(16,17)18)8-10(11)13(22)19-5-7-20-6-1-2-12(20)21/h3-4,8H,1-2,5-7H2,(H,19,22)
InChIKeyHGJFQNVNRCKRJK-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 90650238
2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 131920436
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 118793653
4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid
CID 134109822
2-chloro-N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 122570554
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 78777407
4-(4-chloro-2-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 121497318
N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 39513052
2-chloro-4-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 34841380
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 51195842
2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 124848979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide (CID 90650316) is 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide is O=C(NCCN1CCCC1=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide?
The InChIKey is HGJFQNVNRCKRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O2/c15-11-4-3-9(14(16,17)18)8-10(11)13(22)19-5-7-20-6-1-2-12(20)21/h3-4,8H,1-2,5-7H2,(H,19,22).
What are the key properties of 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide has a molecular weight of 334.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90650316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).