N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide

C12H10ClF3N2O2 — CID 91458106

IUPACN-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C1CC(c2ccc(Cl)c(NC(=O)C(F)(F)F)c2)CN1
InChIInChI=1S/C12H10ClF3N2O2/c13-8-2-1-6(7-4-10(19)17-5-7)3-9(8)18-11(20)12(14,15)16/h1-3,7H,4-5H2,(H,17,19)(H,18,20)
InChIKeyIFAJWFLIDNYVAA-UHFFFAOYSA-N
MW306.67 g/mol
LogP2.44
Rot. Bonds2

About N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide

N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 91458106) has the molecular formula C12H10ClF3N2O2 and a molecular weight of 306.67 g/mol. Its IUPAC name is N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID91458106
Molecular FormulaC12H10ClF3N2O2
Molecular Weight306.67 g/mol
Exact Mass306.04
IUPAC NameN-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C1CC(c2ccc(Cl)c(NC(=O)C(F)(F)F)c2)CN1
InChIInChI=1S/C12H10ClF3N2O2/c13-8-2-1-6(7-4-10(19)17-5-7)3-9(8)18-11(20)12(14,15)16/h1-3,7H,4-5H2,(H,17,19)(H,18,20)
InChIKeyIFAJWFLIDNYVAA-UHFFFAOYSA-N
XLogP2.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.67
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 124634597
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
CID 124634608
4-[2-chloro-5-[(3R)-5-oxopyrrolidin-3-yl]phenyl]benzoic acid
CID 66725141
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71742226
4-(5-oxopyrrolidin-3-yl)benzoic acid
CID 82609571
(4S)-4-[4-(chloromethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 124634477
(4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one
CID 124634504
(4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid
CID 142352390
N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78954339
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
CID 53417800

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide (CID 91458106) is N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide is O=C1CC(c2ccc(Cl)c(NC(=O)C(F)(F)F)c2)CN1.
What is the InChIKey of N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is IFAJWFLIDNYVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2/c13-8-2-1-6(7-4-10(19)17-5-7)3-9(8)18-11(20)12(14,15)16/h1-3,7H,4-5H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide?
N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 306.67 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 91458106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).