4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one

C17H20Cl2N2O2 — CID 113191077

IUPAC4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cc(Cl)ccc2Cl)C1)N1CCCCCC1
InChIInChI=1S/C17H20Cl2N2O2/c18-13-5-6-14(19)15(10-13)21-11-12(9-16(21)22)17(23)20-7-3-1-2-4-8-20/h5-6,10,12H,1-4,7-9,11H2
InChIKeyCJADQNILINBWQX-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.75
Rot. Bonds2

About 4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one

4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one (PubChem CID 113191077) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one
PubChem CID113191077
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC Name4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cc(Cl)ccc2Cl)C1)N1CCCCCC1
InChIInChI=1S/C17H20Cl2N2O2/c18-13-5-6-14(19)15(10-13)21-11-12(9-16(21)22)17(23)20-7-3-1-2-4-8-20/h5-6,10,12H,1-4,7-9,11H2
InChIKeyCJADQNILINBWQX-UHFFFAOYSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113191047
4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 112767128
1-(2-chlorophenyl)-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43045456
ethyl 1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50873791
1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 113190973
4-(3-aminopiperidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 119378594
1-(2-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 84504102
1-(5-chloro-2-methylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113187589
1-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 32978569
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(3-chlorophenyl)pyrrolidin-2-one
CID 134035368
1-(2,4-difluorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55622618

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one (CID 113191077) is 4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2cc(Cl)ccc2Cl)C1)N1CCCCCC1.
What is the InChIKey of 4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one?
The InChIKey is CJADQNILINBWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c18-13-5-6-14(19)15(10-13)21-11-12(9-16(21)22)17(23)20-7-3-1-2-4-8-20/h5-6,10,12H,1-4,7-9,11H2.
What are the key properties of 4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one?
4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one has a molecular weight of 355.27 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 113191077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).