(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide

C15H19BrN2O2 — CID 9398060

IUPAC(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C15H19BrN2O2/c1-2-3-8-18-10-11(9-14(18)19)15(20)17-13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,17,20)/t11-/m0/s1
InChIKeyAURIMLPWERBJCO-NSHDSACASA-N
MW339.23 g/mol
LogP3.04
Rot. Bonds5

About (3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 9398060) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is (3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID9398060
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C15H19BrN2O2/c1-2-3-8-18-10-11(9-14(18)19)15(20)17-13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,17,20)/t11-/m0/s1
InChIKeyAURIMLPWERBJCO-NSHDSACASA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082489
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
(3S)-N-(4-bromo-3-methylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398582
N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185750
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185719
N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082692
1-butyl-5-oxo-N-[4-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 17018945
methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
CID 17153521
(3S)-1-butyl-5-oxo-N-[4-(pyridin-4-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41457449
5-oxo-1-pentyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113185733

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide (CID 9398060) is (3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide is CCCCN1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O.
What is the InChIKey of (3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AURIMLPWERBJCO-NSHDSACASA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-2-3-8-18-10-11(9-14(18)19)15(20)17-13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9398060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).