N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H18BrFN2O2 — CID 17152054

IUPACN-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(Br)cc3F)CC2=O)c(C)c1
InChIInChI=1S/C19H18BrFN2O2/c1-11-3-6-17(12(2)7-11)23-10-13(8-18(23)24)19(25)22-16-5-4-14(20)9-15(16)21/h3-7,9,13H,8,10H2,1-2H3,(H,22,25)
InChIKeyJHHMEXGWVZXAIS-UHFFFAOYSA-N
MW405.27 g/mol
LogP4.20
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17152054) has the molecular formula C19H18BrFN2O2 and a molecular weight of 405.27 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17152054
Molecular FormulaC19H18BrFN2O2
Molecular Weight405.27 g/mol
Exact Mass404.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(Br)cc3F)CC2=O)c(C)c1
InChIInChI=1S/C19H18BrFN2O2/c1-11-3-6-17(12(2)7-11)23-10-13(8-18(23)24)19(25)22-16-5-4-14(20)9-15(16)21/h3-7,9,13H,8,10H2,1-2H3,(H,22,25)
InChIKeyJHHMEXGWVZXAIS-UHFFFAOYSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186061
N-(4-bromo-2-fluorophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120342
(3R)-N-(4-bromo-2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1006550
1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191577
(3S)-N-[(Z)-(4-bromophenyl)methylideneamino]-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5452301
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213
N-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17225392
(3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 33398015
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2883840
(3R)-N-(4-bromo-2-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260237
1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 113190369
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186079

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17152054) is N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccc(Br)cc3F)CC2=O)c(C)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JHHMEXGWVZXAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2O2/c1-11-3-6-17(12(2)7-11)23-10-13(8-18(23)24)19(25)22-16-5-4-14(20)9-15(16)21/h3-7,9,13H,8,10H2,1-2H3,(H,22,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 405.27 g/mol, XLogP of 4.20, 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-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17152054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).