1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide

C17H23BrN2O2 — CID 109139971

IUPAC1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)NCCC(C)C)c(Br)c1
InChIInChI=1S/C17H23BrN2O2/c1-10(2)6-7-19-16(21)12-9-13(12)17(22)20-15-5-4-11(3)8-14(15)18/h4-5,8,10,12-13H,6-7,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyJLYNAPFWJMJWCD-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.49
Rot. Bonds6

About 1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide

1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139971) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
PubChem CID109139971
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)NCCC(C)C)c(Br)c1
InChIInChI=1S/C17H23BrN2O2/c1-10(2)6-7-19-16(21)12-9-13(12)17(22)20-15-5-4-11(3)8-14(15)18/h4-5,8,10,12-13H,6-7,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyJLYNAPFWJMJWCD-UHFFFAOYSA-N
XLogP3.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132143
1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139952
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134282
2-N-(2-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141632
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149790
1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139937
1-N-ethyl-2-N-(3-methylbutyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139998
N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide
CID 38801147
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(2-bromo-4-methylphenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 78760934
4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211222

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide (CID 109139971) is 1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide is Cc1ccc(NC(=O)C2CC2C(=O)NCCC(C)C)c(Br)c1.
What is the InChIKey of 1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is JLYNAPFWJMJWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-10(2)6-7-19-16(21)12-9-13(12)17(22)20-15-5-4-11(3)8-14(15)18/h4-5,8,10,12-13H,6-7,9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide?
1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 367.29 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).