1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide

C17H17BrN2O3 — CID 108974660

IUPAC1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)NCc3ccco3)CC2)cc1Br
InChIInChI=1S/C17H17BrN2O3/c1-11-4-5-12(9-14(11)18)20-16(22)17(6-7-17)15(21)19-10-13-3-2-8-23-13/h2-5,8-9H,6-7,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyGCQSFLSFGDSYIJ-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.39
Rot. Bonds5

About 1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide

1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108974660) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108974660
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)NCc3ccco3)CC2)cc1Br
InChIInChI=1S/C17H17BrN2O3/c1-11-4-5-12(9-14(11)18)20-16(22)17(6-7-17)15(21)19-10-13-3-2-8-23-13/h2-5,8-9H,6-7,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyGCQSFLSFGDSYIJ-UHFFFAOYSA-N
XLogP3.39
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N'-(3-bromophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974696
1-N-(furan-2-ylmethyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974641
1-N-(furan-2-ylmethyl)-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974663
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 63333822
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980672
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2985453
1-N'-(2,6-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974715
1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974702
1-N'-(3-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974651
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974666

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide (CID 108974660) is 1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide is Cc1ccc(NC(=O)C2(C(=O)NCc3ccco3)CC2)cc1Br.
What is the InChIKey of 1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is GCQSFLSFGDSYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-4-5-12(9-14(11)18)20-16(22)17(6-7-17)15(21)19-10-13-3-2-8-23-13/h2-5,8-9H,6-7,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 377.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108974660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).