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

C18H14BrN3O2 — CID 113191931

IUPACN-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cccc(N2CC(C(=O)Nc3ccc(Br)cc3)CC2=O)c1
InChIInChI=1S/C18H14BrN3O2/c19-14-4-6-15(7-5-14)21-18(24)13-9-17(23)22(11-13)16-3-1-2-12(8-16)10-20/h1-8,13H,9,11H2,(H,21,24)
InChIKeyACPCOCWMLQTLLF-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.31
Rot. Bonds3

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

N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191931) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113191931
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC NameN-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cccc(N2CC(C(=O)Nc3ccc(Br)cc3)CC2=O)c1
InChIInChI=1S/C18H14BrN3O2/c19-14-4-6-15(7-5-14)21-18(24)13-9-17(23)22(11-13)16-3-1-2-12(8-16)10-20/h1-8,13H,9,11H2,(H,21,24)
InChIKeyACPCOCWMLQTLLF-UHFFFAOYSA-N
XLogP3.31
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191969
(3S)-N-(4-cyanophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892565
N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946600
(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 30121276
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
methyl 3-[4-[(4-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189370
(3R)-N-(3-cyanophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245456
(3R)-1-(4-bromophenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39348541
1-(3-cyanophenyl)-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191935
1-(3-bromophenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190290
(3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1286829
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1366068

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113191931) is N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is N#Cc1cccc(N2CC(C(=O)Nc3ccc(Br)cc3)CC2=O)c1.
What is the InChIKey of N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ACPCOCWMLQTLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c19-14-4-6-15(7-5-14)21-18(24)13-9-17(23)22(11-13)16-3-1-2-12(8-16)10-20/h1-8,13H,9,11H2,(H,21,24).
What are the key properties of N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 384.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).