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

C18H17BrN2O2 — CID 2872612

IUPACN-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H17BrN2O2/c19-15-6-8-16(9-7-15)21-12-14(10-17(21)22)18(23)20-11-13-4-2-1-3-5-13/h1-9,14H,10-12H2,(H,20,23)
InChIKeyGBICGLPIOQJWGD-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.12
Rot. Bonds4

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

N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2872612) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2872612
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H17BrN2O2/c19-15-6-8-16(9-7-15)21-12-14(10-17(21)22)18(23)20-11-13-4-2-1-3-5-13/h1-9,14H,10-12H2,(H,20,23)
InChIKeyGBICGLPIOQJWGD-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55579173
(3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056074
(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124749019
N-benzyl-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 45491975
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2890119
1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42943340
(3R)-N-benzyl-1-[4-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 126142246
1-(4-bromophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3373774
(3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932453

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide (CID 2872612) is N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1)C1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GBICGLPIOQJWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-15-6-8-16(9-7-15)21-12-14(10-17(21)22)18(23)20-11-13-4-2-1-3-5-13/h1-9,14H,10-12H2,(H,20,23).
What are the key properties of N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2872612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).