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

C16H21BrN2O2 — CID 109139379

IUPAC2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide
SMILESCCN(CC)C(=O)C1CC1C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C16H21BrN2O2/c1-4-19(5-2)16(21)13-9-12(13)15(20)18-11-6-7-14(17)10(3)8-11/h6-8,12-13H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyUBZKLZYTPRNXPG-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.20
Rot. Bonds5

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

2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide (PubChem CID 109139379) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide
PubChem CID109139379
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide
SMILESCCN(CC)C(=O)C1CC1C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C16H21BrN2O2/c1-4-19(5-2)16(21)13-9-12(13)15(20)18-11-6-7-14(17)10(3)8-11/h6-8,12-13H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyUBZKLZYTPRNXPG-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140206
cis-(1S,2R)-2-[(4-bromo-3-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320575
2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide
CID 109139358
1-N,1-N-diethyl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139348
methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109139360
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382988
1-N,1-N-diethyl-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139318
2-N-(3,4-dimethylphenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141736
N-(4-bromo-3-methylphenyl)adamantane-2-carboxamide
CID 78910053
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
N-(4-bromo-3-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583700
2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142192

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide (CID 109139379) is 2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide is CCN(CC)C(=O)C1CC1C(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of 2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide?
The InChIKey is UBZKLZYTPRNXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-4-19(5-2)16(21)13-9-12(13)15(20)18-11-6-7-14(17)10(3)8-11/h6-8,12-13H,4-5,9H2,1-3H3,(H,18,20).
What are the key properties of 2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide?
2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide has a molecular weight of 353.26 g/mol, XLogP of 3.20, 5 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,1-N-diethylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).