(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide

C11H10BrClN2O2 — CID 675422

IUPAC(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2ccc(Cl)c(Br)c2)N1
InChIInChI=1S/C11H10BrClN2O2/c12-7-5-6(1-2-8(7)13)14-11(17)9-3-4-10(16)15-9/h1-2,5,9H,3-4H2,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyISQVDZOPDVRKMO-VIFPVBQESA-N
MW317.57 g/mol
LogP2.32
Rot. Bonds2

About (2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 675422) has the molecular formula C11H10BrClN2O2 and a molecular weight of 317.57 g/mol. Its IUPAC name is (2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID675422
Molecular FormulaC11H10BrClN2O2
Molecular Weight317.57 g/mol
Exact Mass315.96
IUPAC Name(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2ccc(Cl)c(Br)c2)N1
InChIInChI=1S/C11H10BrClN2O2/c12-7-5-6(1-2-8(7)13)14-11(17)9-3-4-10(16)15-9/h1-2,5,9H,3-4H2,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyISQVDZOPDVRKMO-VIFPVBQESA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824877
(2R)-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824880
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520
(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 26469933
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
3,6-dichloro-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 107048504
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide
CID 103806993
(2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 99637421
N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744978
N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744616

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide (CID 675422) is (2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)Nc2ccc(Cl)c(Br)c2)N1.
What is the InChIKey of (2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ISQVDZOPDVRKMO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10BrClN2O2/c12-7-5-6(1-2-8(7)13)14-11(17)9-3-4-10(16)15-9/h1-2,5,9H,3-4H2,(H,14,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 317.57 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 675422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).