2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide

C17H23BrN2O2 — CID 109140206

IUPAC2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C17H23BrN2O2/c1-4-5-8-20(3)17(22)14-10-13(14)16(21)19-12-6-7-15(18)11(2)9-12/h6-7,9,13-14H,4-5,8,10H2,1-3H3,(H,19,21)
InChIKeySYFPQIFNJPVUBQ-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.59
Rot. Bonds6

About 2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide

2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide (PubChem CID 109140206) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
PubChem CID109140206
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C17H23BrN2O2/c1-4-5-8-20(3)17(22)14-10-13(14)16(21)19-12-6-7-15(18)11(2)9-12/h6-7,9,13-14H,4-5,8,10H2,1-3H3,(H,19,21)
InChIKeySYFPQIFNJPVUBQ-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140203
2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide
CID 109139379
2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140207
cis-(1S,2R)-2-[(4-bromo-3-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320575
N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
CID 109006163
1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109140200
N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
CID 2902956
2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138093
1-N-butyl-1-N-methyl-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130498
1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149942
1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109140214
N-(3-bromo-4-methylphenyl)-N'-butyl-N'-methylpropanediamide
CID 108952043

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide (CID 109140206) is 2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide is CCCCN(C)C(=O)C1CC1C(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of 2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide?
The InChIKey is SYFPQIFNJPVUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-4-5-8-20(3)17(22)14-10-13(14)16(21)19-12-6-7-15(18)11(2)9-12/h6-7,9,13-14H,4-5,8,10H2,1-3H3,(H,19,21).
What are the key properties of 2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide?
2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide has a molecular weight of 367.29 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109140206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).