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

C16H21BrN2O2 — CID 108979129

IUPAC1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
SMILESCCN(CC)C(=O)C1(C(=O)Nc2ccc(C)cc2Br)CC1
InChIInChI=1S/C16H21BrN2O2/c1-4-19(5-2)15(21)16(8-9-16)14(20)18-13-7-6-11(3)10-12(13)17/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,20)
InChIKeyZKJCBZFUKWTCJF-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.34
Rot. Bonds5

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

1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide (PubChem CID 108979129) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
PubChem CID108979129
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
SMILESCCN(CC)C(=O)C1(C(=O)Nc2ccc(C)cc2Br)CC1
InChIInChI=1S/C16H21BrN2O2/c1-4-19(5-2)15(21)16(8-9-16)14(20)18-13-7-6-11(3)10-12(13)17/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,20)
InChIKeyZKJCBZFUKWTCJF-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979061
1-N-(2,5-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979062
1-N',1-N'-diethyl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108979078
1-N-benzyl-1-N'-(2-bromo-4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974867
1-N-(2,5-dichlorophenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979145
1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976541
3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea
CID 78917161
1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979076
[(2R)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 9461170
1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980321
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
1-N',1-N'-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979075

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide (CID 108979129) is 1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide is CCN(CC)C(=O)C1(C(=O)Nc2ccc(C)cc2Br)CC1.
What is the InChIKey of 1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide?
The InChIKey is ZKJCBZFUKWTCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-4-19(5-2)15(21)16(8-9-16)14(20)18-13-7-6-11(3)10-12(13)17/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,20).
What are the key properties of 1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide?
1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide has a molecular weight of 353.26 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).