1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

C22H24BrN3O3 — CID 46485875

IUPAC1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C22H24BrN3O3/c1-13(2)21(28)24-16-9-8-14(3)18(11-16)25-22(29)15-10-20(27)26(12-15)19-7-5-4-6-17(19)23/h4-9,11,13,15H,10,12H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyNZRZIMIAMBZFGY-UHFFFAOYSA-N
MW458.36 g/mol
LogP4.34
Rot. Bonds5

About 1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46485875) has the molecular formula C22H24BrN3O3 and a molecular weight of 458.36 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46485875
Molecular FormulaC22H24BrN3O3
Molecular Weight458.36 g/mol
Exact Mass457.10
IUPAC Name1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C22H24BrN3O3/c1-13(2)21(28)24-16-9-8-14(3)18(11-16)25-22(29)15-10-20(27)26(12-15)19-7-5-4-6-17(19)23/h4-9,11,13,15H,10,12H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyNZRZIMIAMBZFGY-UHFFFAOYSA-N
XLogP4.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351107
N-(3-acetamido-4-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55746681
N-(2-bromophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17151862
(3S)-N-(3,4-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 719074
(3S)-N-(4-bromo-3,5-dimethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004590
1-(2-bromophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46583917
1-(2-bromophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953141
methyl 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 47024004
N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2984442
(3R)-N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7220564
(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39340628
(3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 51729548

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 46485875) is 1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NZRZIMIAMBZFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O3/c1-13(2)21(28)24-16-9-8-14(3)18(11-16)25-22(29)15-10-20(27)26(12-15)19-7-5-4-6-17(19)23/h4-9,11,13,15H,10,12H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 458.36 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46485875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).