1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C12H12BrClN2O2 — CID 168696945

IUPAC1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Cl)cc(Br)c1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C12H12BrClN2O2/c1-6-2-8(14)4-9(13)11(6)16-5-7(12(15)18)3-10(16)17/h2,4,7H,3,5H2,1H3,(H2,15,18)
InChIKeyKWZPHRCFVQHGMI-UHFFFAOYSA-N
MW331.60 g/mol
LogP2.25
Rot. Bonds2

About 1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696945) has the molecular formula C12H12BrClN2O2 and a molecular weight of 331.60 g/mol. Its IUPAC name is 1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696945
Molecular FormulaC12H12BrClN2O2
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC Name1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Cl)cc(Br)c1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C12H12BrClN2O2/c1-6-2-8(14)4-9(13)11(6)16-5-7(12(15)18)3-10(16)17/h2,4,7H,3,5H2,1H3,(H2,15,18)
InChIKeyKWZPHRCFVQHGMI-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-chloro-6-methylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670611
methyl 1-(2,4-dichloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693855
1-(2-amino-5-bromo-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696736
1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698272
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708
1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696869
[1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676120
1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697775
1-(2-amino-5-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696923
1-(2-bromo-6-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691182
1-(3,5-dichloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698108
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698278

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 168696945) is 1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(Cl)cc(Br)c1N1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KWZPHRCFVQHGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2/c1-6-2-8(14)4-9(13)11(6)16-5-7(12(15)18)3-10(16)17/h2,4,7H,3,5H2,1H3,(H2,15,18).
What are the key properties of 1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 331.60 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).