4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide

C13H12BrF3N2O2 — CID 103799877

IUPAC4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H12BrF3N2O2/c1-19-5-4-10(12(19)21)18-11(20)7-2-3-9(14)8(6-7)13(15,16)17/h2-3,6,10H,4-5H2,1H3,(H,18,20)
InChIKeyATDZRLHGYUAKJC-UHFFFAOYSA-N
MW365.15 g/mol
LogP2.43
Rot. Bonds2

About 4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide

4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 103799877) has the molecular formula C13H12BrF3N2O2 and a molecular weight of 365.15 g/mol. Its IUPAC name is 4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide
PubChem CID103799877
Molecular FormulaC13H12BrF3N2O2
Molecular Weight365.15 g/mol
Exact Mass364.00
IUPAC Name4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H12BrF3N2O2/c1-19-5-4-10(12(19)21)18-11(20)7-2-3-9(14)8(6-7)13(15,16)17/h2-3,6,10H,4-5H2,1H3,(H,18,20)
InChIKeyATDZRLHGYUAKJC-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.15
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methyl-2-oxopyrrolidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257175
N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-6-carboxamide
CID 106256433
4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
CID 114309058
2-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
CID 103765338
4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 96506947
4-bromo-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 82729029
3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113239507
2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114164962
3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114163964
4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 113264596
4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 103808061
4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258149

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide (CID 103799877) is 4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide is CN1CCC(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1=O.
What is the InChIKey of 4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is ATDZRLHGYUAKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2O2/c1-19-5-4-10(12(19)21)18-11(20)7-2-3-9(14)8(6-7)13(15,16)17/h2-3,6,10H,4-5H2,1H3,(H,18,20).
What are the key properties of 4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide?
4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 365.15 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 103799877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).