3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide

C17H14BrClN2O2 — CID 7563859

IUPAC3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc(Br)c1
InChIInChI=1S/C17H14BrClN2O2/c18-12-3-1-2-11(8-12)17(23)20-14-9-16(22)21(10-14)15-6-4-13(19)5-7-15/h1-8,14H,9-10H2,(H,20,23)/t14-/m0/s1
InChIKeyARPGKKPUXDAQBP-AWEZNQCLSA-N
MW393.67 g/mol
LogP3.64
Rot. Bonds3

About 3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide

3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 7563859) has the molecular formula C17H14BrClN2O2 and a molecular weight of 393.67 g/mol. Its IUPAC name is 3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID7563859
Molecular FormulaC17H14BrClN2O2
Molecular Weight393.67 g/mol
Exact Mass391.99
IUPAC Name3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc(Br)c1
InChIInChI=1S/C17H14BrClN2O2/c18-12-3-1-2-11(8-12)17(23)20-14-9-16(22)21(10-14)15-6-4-13(19)5-7-15/h1-8,14H,9-10H2,(H,20,23)/t14-/m0/s1
InChIKeyARPGKKPUXDAQBP-AWEZNQCLSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 16822090
3-chloro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563634
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
3-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822351
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
4-tert-butyl-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563819
3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7564303
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 7563859) is 3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide is O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is ARPGKKPUXDAQBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H14BrClN2O2/c18-12-3-1-2-11(8-12)17(23)20-14-9-16(22)21(10-14)15-6-4-13(19)5-7-15/h1-8,14H,9-10H2,(H,20,23)/t14-/m0/s1.
What are the key properties of 3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 393.67 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7563859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).