1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide

C18H17BrN2O2 — CID 4811389

IUPAC1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H17BrN2O2/c19-15-6-8-16(9-7-15)20-18(23)14-10-17(22)21(12-14)11-13-4-2-1-3-5-13/h1-9,14H,10-12H2,(H,20,23)
InChIKeyNHAMTKCPPJAIKG-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.44
Rot. Bonds4

About 1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4811389) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4811389
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H17BrN2O2/c19-15-6-8-16(9-7-15)20-18(23)14-10-17(22)21(12-14)11-13-4-2-1-3-5-13/h1-9,14H,10-12H2,(H,20,23)
InChIKeyNHAMTKCPPJAIKG-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529257
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544
N-(4-bromophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183219
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
(3R)-1-benzyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40606403
1-benzyl-N-[4-(difluoromethylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 24819833
1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 2964324
(3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2506973
(3R)-1-benzyl-N-[4-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8502653
(3R)-1-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017753
1-[(3-bromophenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46109647
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 42996257

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide (CID 4811389) is 1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Br)cc1)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NHAMTKCPPJAIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-15-6-8-16(9-7-15)20-18(23)14-10-17(22)21(12-14)11-13-4-2-1-3-5-13/h1-9,14H,10-12H2,(H,20,23).
What are the key properties of 1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4811389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).