1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one

C23H24BrClN2O2 — CID 121146435

IUPAC1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc(Br)c2)C1)N1CCCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H24BrClN2O2/c24-19-5-3-6-21(13-19)27-15-18(12-22(27)28)23(29)26-11-2-1-4-17(14-26)16-7-9-20(25)10-8-16/h3,5-10,13,17-18H,1-2,4,11-12,14-15H2
InChIKeyMAJZIDKALSOXFP-UHFFFAOYSA-N
MW475.81 g/mol
LogP5.25
Rot. Bonds3

About 1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one

1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one (PubChem CID 121146435) has the molecular formula C23H24BrClN2O2 and a molecular weight of 475.81 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one
PubChem CID121146435
Molecular FormulaC23H24BrClN2O2
Molecular Weight475.81 g/mol
Exact Mass474.07
IUPAC Name1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc(Br)c2)C1)N1CCCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H24BrClN2O2/c24-19-5-3-6-21(13-19)27-15-18(12-22(27)28)23(29)26-11-2-1-4-17(14-26)16-7-9-20(25)10-8-16/h3,5-10,13,17-18H,1-2,4,11-12,14-15H2
InChIKeyMAJZIDKALSOXFP-UHFFFAOYSA-N
XLogP5.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.81
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 55575787
1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one
CID 90608508
(3-bromophenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146495
1-(3-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851698
(4R)-1-(4-fluorophenyl)-4-[(3S)-3-(4-fluorophenyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 99979673
1-(3-bromophenyl)-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 121114551
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(3-chlorophenyl)pyrrolidin-2-one
CID 134035368
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46587894
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
CID 119633918
1-(3-bromophenyl)-4-(1,1-dioxo-7-phenyl-1,4-thiazepane-4-carbonyl)pyrrolidin-2-one
CID 121191811
1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71780411
5-[1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-4-cyclopropyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121115692

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one (CID 121146435) is 1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2cccc(Br)c2)C1)N1CCCCC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MAJZIDKALSOXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrClN2O2/c24-19-5-3-6-21(13-19)27-15-18(12-22(27)28)23(29)26-11-2-1-4-17(14-26)16-7-9-20(25)10-8-16/h3,5-10,13,17-18H,1-2,4,11-12,14-15H2.
What are the key properties of 1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one?
1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one has a molecular weight of 475.81 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 121146435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).