1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide

C15H19BrN2O2 — CID 108971329

IUPAC1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CNC(=O)C1(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C15H19BrN2O2/c1-10(2)9-17-13(19)15(7-8-15)14(20)18-12-6-4-3-5-11(12)16/h3-6,10H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCVSVAFJCAWQGFU-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.94
Rot. Bonds5

About 1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide

1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108971329) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
PubChem CID108971329
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CNC(=O)C1(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C15H19BrN2O2/c1-10(2)9-17-13(19)15(7-8-15)14(20)18-12-6-4-3-5-11(12)16/h3-6,10H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCVSVAFJCAWQGFU-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.94
H-Bond Donors ≤ 52
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-bromophenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975890
1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981811
1-N'-(2,4-dimethylphenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971263
1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971312
1-N'-(4-ethylphenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971270
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108971193
1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973362
1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971239
4-(aminomethyl)-N-(2-bromophenyl)oxane-4-carboxamide
CID 115438925
N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972096
1-N-benzyl-1-N'-(2-bromo-4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974867
1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971320

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide (CID 108971329) is 1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide is CC(C)CNC(=O)C1(C(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of 1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is CVSVAFJCAWQGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10(2)9-17-13(19)15(7-8-15)14(20)18-12-6-4-3-5-11(12)16/h3-6,10H,7-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).