1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide

C17H21BrN2O2 — CID 109132143

IUPAC1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)NC2CCCC2)c(Br)c1
InChIInChI=1S/C17H21BrN2O2/c1-10-6-7-15(14(18)8-10)20-17(22)13-9-12(13)16(21)19-11-4-2-3-5-11/h6-8,11-13H,2-5,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyJGZVUUJQCSNGDY-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.39
Rot. Bonds4

About 1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide

1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide (PubChem CID 109132143) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
PubChem CID109132143
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)NC2CCCC2)c(Br)c1
InChIInChI=1S/C17H21BrN2O2/c1-10-6-7-15(14(18)8-10)20-17(22)13-9-12(13)16(21)19-11-4-2-3-5-11/h6-8,11-13H,2-5,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyJGZVUUJQCSNGDY-UHFFFAOYSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132141
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583701
2-N-cyclopentyl-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132069
1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139971
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134282
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130914
2-[(2-bromo-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64815711
(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 22691461
N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide
CID 81004083
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide (CID 109132143) is 1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide is Cc1ccc(NC(=O)C2CC2C(=O)NC2CCCC2)c(Br)c1.
What is the InChIKey of 1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide?
The InChIKey is JGZVUUJQCSNGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-10-6-7-15(14(18)8-10)20-17(22)13-9-12(13)16(21)19-11-4-2-3-5-11/h6-8,11-13H,2-5,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide?
1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide has a molecular weight of 365.27 g/mol, XLogP of 3.39, 4 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-cyclopentylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109132143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).