N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C18H14BrF3N2O2 — CID 2955408

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H14BrF3N2O2/c19-12-6-7-15(14(9-12)18(20,21)22)23-17(26)11-8-16(25)24(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,23,26)
InChIKeyDPXOESXHNGOWMT-UHFFFAOYSA-N
MW427.22 g/mol
LogP4.46
Rot. Bonds3

About N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 2955408) has the molecular formula C18H14BrF3N2O2 and a molecular weight of 427.22 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID2955408
Molecular FormulaC18H14BrF3N2O2
Molecular Weight427.22 g/mol
Exact Mass426.02
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H14BrF3N2O2/c19-12-6-7-15(14(9-12)18(20,21)22)23-17(26)11-8-16(25)24(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,23,26)
InChIKeyDPXOESXHNGOWMT-UHFFFAOYSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-bromo-2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1006550
(3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9004445
(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1040479
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948
1-(3-chlorophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43072059
1-(4-chlorophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55873020
(3R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51933901
(3R)-1-(4-bromophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1109938
N-(4-bromo-2-methylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118645
(3S)-N-(2-acetamido-5-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 52516120
(3S)-N-(4-bromo-3-chloro-2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9004452
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 2955408) is N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccc(Br)cc1C(F)(F)F)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is DPXOESXHNGOWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF3N2O2/c19-12-6-7-15(14(9-12)18(20,21)22)23-17(26)11-8-16(25)24(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,23,26).
What are the key properties of N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 427.22 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2955408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).