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

C16H21BrN2O2 — CID 113190369

IUPAC1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Br)ccc1N1CC(C(=O)NC(C)(C)C)CC1=O
InChIInChI=1S/C16H21BrN2O2/c1-10-7-12(17)5-6-13(10)19-9-11(8-14(19)20)15(21)18-16(2,3)4/h5-7,11H,8-9H2,1-4H3,(H,18,21)
InChIKeyARQMFFVTDHBNBK-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.03
Rot. Bonds2

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

1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113190369) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113190369
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Br)ccc1N1CC(C(=O)NC(C)(C)C)CC1=O
InChIInChI=1S/C16H21BrN2O2/c1-10-7-12(17)5-6-13(10)19-9-11(8-14(19)20)15(21)18-16(2,3)4/h5-7,11H,8-9H2,1-4H3,(H,18,21)
InChIKeyARQMFFVTDHBNBK-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497633
N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17152054
(3R)-N-tert-butyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394386
(3R)-N-tert-butyl-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438206
(3S)-N-[(Z)-(4-bromophenyl)methylideneamino]-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5452301
(3S)-1-(4-carboxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076055
N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46705199
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
S-[[1-(4-bromo-2-methylphenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667058
2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187504
(3S)-N-(2,4-dibromophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529075
(3R)-1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 26615651

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide (CID 113190369) is 1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide is Cc1cc(Br)ccc1N1CC(C(=O)NC(C)(C)C)CC1=O.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ARQMFFVTDHBNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-10-7-12(17)5-6-13(10)19-9-11(8-14(19)20)15(21)18-16(2,3)4/h5-7,11H,8-9H2,1-4H3,(H,18,21).
What are the key properties of 1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide?
1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 353.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-N-tert-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113190369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).