1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide

C23H26BrN3O3 — CID 46436911

IUPAC1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)C2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1
InChIInChI=1S/C23H26BrN3O3/c1-4-21(28)26-18-7-5-16(6-8-18)15(3)25-23(30)17-12-22(29)27(13-17)19-9-10-20(24)14(2)11-19/h5-11,15,17H,4,12-13H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyWLNBVOYJQWASFR-UHFFFAOYSA-N
MW472.38 g/mol
LogP4.34
Rot. Bonds6

About 1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide

1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 46436911) has the molecular formula C23H26BrN3O3 and a molecular weight of 472.38 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide
PubChem CID46436911
Molecular FormulaC23H26BrN3O3
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC Name1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)C2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1
InChIInChI=1S/C23H26BrN3O3/c1-4-21(28)26-18-7-5-16(6-8-18)15(3)25-23(30)17-12-22(29)27(13-17)19-9-10-20(24)14(2)11-19/h5-11,15,17H,4,12-13H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyWLNBVOYJQWASFR-UHFFFAOYSA-N
XLogP4.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(4-bromo-3-methylphenyl)-N-butan-2-yl-5-oxopyrrolidine-3-carboxamide
CID 113190392
(2R)-2-[[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119243981
(3R)-1-(4-bromo-3-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838720
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9392169
1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 120653013
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 9393411
methyl (2S)-2-[[(3S)-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetate
CID 52818112
ethyl N-[[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamate
CID 46581535
(3S)-N-[(2S)-butan-2-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393073
N-butan-2-yl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082340
1-(4-bromo-3-methylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578133
N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 84899063

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide (CID 46436911) is 1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide is CCC(=O)Nc1ccc(C(C)NC(=O)C2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is WLNBVOYJQWASFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O3/c1-4-21(28)26-18-7-5-16(6-8-18)15(3)25-23(30)17-12-22(29)27(13-17)19-9-10-20(24)14(2)11-19/h5-11,15,17H,4,12-13H2,1-3H3,(H,25,30)(H,26,28).
What are the key properties of 1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide?
1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 472.38 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46436911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).