1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C12H10ClF3N2O2 — CID 168698246

IUPAC1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Cl)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H10ClF3N2O2/c13-8-2-7(12(14,15)16)3-9(4-8)18-5-6(11(17)20)1-10(18)19/h2-4,6H,1,5H2,(H2,17,20)
InChIKeyQRGGTTIBHLCZBA-UHFFFAOYSA-N
MW306.67 g/mol
LogP2.20
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698246) has the molecular formula C12H10ClF3N2O2 and a molecular weight of 306.67 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168698246
Molecular FormulaC12H10ClF3N2O2
Molecular Weight306.67 g/mol
Exact Mass306.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Cl)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H10ClF3N2O2/c13-8-2-7(12(14,15)16)3-9(4-8)18-5-6(11(17)20)1-10(18)19/h2-4,6H,1,5H2,(H2,17,20)
InChIKeyQRGGTTIBHLCZBA-UHFFFAOYSA-N
XLogP2.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.67
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
CID 88826214
1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697899
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 168697904
1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697662
1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698509
1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698272
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-[2-chloro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697516
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 168698103
methyl 1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168695124
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 168698246) is 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cc(Cl)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QRGGTTIBHLCZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2/c13-8-2-7(12(14,15)16)3-9(4-8)18-5-6(11(17)20)1-10(18)19/h2-4,6H,1,5H2,(H2,17,20).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 306.67 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).