(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C17H14BrClN2O2 — CID 1366068

IUPAC(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H14BrClN2O2/c18-12-1-7-15(8-2-12)21-10-11(9-16(21)22)17(23)20-14-5-3-13(19)4-6-14/h1-8,11H,9-10H2,(H,20,23)/t11-/m1/s1
InChIKeyXKMKIFAPHJCLDU-LLVKDONJSA-N
MW393.67 g/mol
LogP4.09
Rot. Bonds3

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

(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1366068) has the molecular formula C17H14BrClN2O2 and a molecular weight of 393.67 g/mol. Its IUPAC name is (3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1366068
Molecular FormulaC17H14BrClN2O2
Molecular Weight393.67 g/mol
Exact Mass391.99
IUPAC Name(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H14BrClN2O2/c18-12-1-7-15(8-2-12)21-10-11(9-16(21)22)17(23)20-14-5-3-13(19)4-6-14/h1-8,11H,9-10H2,(H,20,23)/t11-/m1/s1
InChIKeyXKMKIFAPHJCLDU-LLVKDONJSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(4-bromophenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39348541
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
(3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1286829
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
1-(4-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187469
4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 2983118
(3S)-N-(4-carbamoylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9391052
(3S)-N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7375127
N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3114278
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
(3S)-1-(4-chlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7160854
(3S)-1-(4-bromophenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7207517

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 1366068) is (3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of (3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XKMKIFAPHJCLDU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14BrClN2O2/c18-12-1-7-15(8-2-12)21-10-11(9-16(21)22)17(23)20-14-5-3-13(19)4-6-14/h1-8,11H,9-10H2,(H,20,23)/t11-/m1/s1.
What are the key properties of (3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.67 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1366068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).