N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide

C15H18BrClN2O2 — CID 17082692

IUPACN-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(Br)cc2Cl)CC1=O
InChIInChI=1S/C15H18BrClN2O2/c1-2-3-6-19-9-10(7-14(19)20)15(21)18-13-5-4-11(16)8-12(13)17/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,21)
InChIKeyLDPUPWLVWVRPRP-UHFFFAOYSA-N
MW373.68 g/mol
LogP3.69
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide

N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17082692) has the molecular formula C15H18BrClN2O2 and a molecular weight of 373.68 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17082692
Molecular FormulaC15H18BrClN2O2
Molecular Weight373.68 g/mol
Exact Mass372.02
IUPAC NameN-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(Br)cc2Cl)CC1=O
InChIInChI=1S/C15H18BrClN2O2/c1-2-3-6-19-9-10(7-14(19)20)15(21)18-13-5-4-11(16)8-12(13)17/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,21)
InChIKeyLDPUPWLVWVRPRP-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082586
N-(4-bromo-2-methylphenyl)-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185762
N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997343
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060
N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082489
1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082588
(3S)-N-(4-bromo-3-methylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398582
(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7926641
N-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964456
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
(3R)-N-(4-bromo-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51548209
(3S)-N-(4-bromo-2-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260449

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide (CID 17082692) is N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)Nc2ccc(Br)cc2Cl)CC1=O.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LDPUPWLVWVRPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O2/c1-2-3-6-19-9-10(7-14(19)20)15(21)18-13-5-4-11(16)8-12(13)17/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,21).
What are the key properties of N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide?
N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 373.68 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17082692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).