N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

C18H14BrN3O2 — CID 113191852

IUPACN-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccccc1N1CC(C(=O)Nc2ccccc2Br)CC1=O
InChIInChI=1S/C18H14BrN3O2/c19-14-6-2-3-7-15(14)21-18(24)13-9-17(23)22(11-13)16-8-4-1-5-12(16)10-20/h1-8,13H,9,11H2,(H,21,24)
InChIKeyXRVSRKCDYJBLDU-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.31
Rot. Bonds3

About N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191852) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113191852
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC NameN-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccccc1N1CC(C(=O)Nc2ccccc2Br)CC1=O
InChIInChI=1S/C18H14BrN3O2/c19-14-6-2-3-7-15(14)21-18(24)13-9-17(23)22(11-13)16-8-4-1-5-12(16)10-20/h1-8,13H,9,11H2,(H,21,24)
InChIKeyXRVSRKCDYJBLDU-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-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113191800
(3S)-N-(2-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351107
(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1040479
N-(2-bromophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17151862
N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191100
1-(2-cyanophenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113191847
methyl 1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694884
1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191874
methyl 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 47024004
1-(2-cyanophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113191742
N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191706
1-(2-bromophenyl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46587243

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113191852) is N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is N#Cc1ccccc1N1CC(C(=O)Nc2ccccc2Br)CC1=O.
What is the InChIKey of N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XRVSRKCDYJBLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c19-14-6-2-3-7-15(14)21-18(24)13-9-17(23)22(11-13)16-8-4-1-5-12(16)10-20/h1-8,13H,9,11H2,(H,21,24).
What are the key properties of N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-bromophenyl)-1-(2-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-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).