1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C12H10BrF3N2O2 — CID 168697662

IUPAC1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(C(F)(F)F)ccc2Br)C1
InChIInChI=1S/C12H10BrF3N2O2/c13-8-2-1-7(12(14,15)16)4-9(8)18-5-6(11(17)20)3-10(18)19/h1-2,4,6H,3,5H2,(H2,17,20)
InChIKeyJBDMLLPTHJOCDO-UHFFFAOYSA-N
MW351.12 g/mol
LogP2.31
Rot. Bonds2

About 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697662) has the molecular formula C12H10BrF3N2O2 and a molecular weight of 351.12 g/mol. Its IUPAC name is 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168697662
Molecular FormulaC12H10BrF3N2O2
Molecular Weight351.12 g/mol
Exact Mass349.99
IUPAC Name1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(C(F)(F)F)ccc2Br)C1
InChIInChI=1S/C12H10BrF3N2O2/c13-8-2-1-7(12(14,15)16)4-9(8)18-5-6(11(17)20)3-10(18)19/h1-2,4,6H,3,5H2,(H2,17,20)
InChIKeyJBDMLLPTHJOCDO-UHFFFAOYSA-N
XLogP2.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.12
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697672
1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697723
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 168698103
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577
1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698399
1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696281
1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 81262940
1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698246
1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696507
methyl 1-[2-bromo-5-(trifluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168694604
1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697775
1-(2-amino-5-bromo-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696736

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 168697662) is 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cc(C(F)(F)F)ccc2Br)C1.
What is the InChIKey of 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JBDMLLPTHJOCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O2/c13-8-2-1-7(12(14,15)16)4-9(8)18-5-6(11(17)20)3-10(18)19/h1-2,4,6H,3,5H2,(H2,17,20).
What are the key properties of 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 351.12 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).