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

C19H19BrN2O2 — CID 108980672

IUPAC1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)Nc3ccccc3C)CC2)cc1Br
InChIInChI=1S/C19H19BrN2O2/c1-12-7-8-14(11-15(12)20)21-17(23)19(9-10-19)18(24)22-16-6-4-3-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKKKUTIQQFVHDGF-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.42
Rot. Bonds4

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

1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108980672) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108980672
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)Nc3ccccc3C)CC2)cc1Br
InChIInChI=1S/C19H19BrN2O2/c1-12-7-8-14(11-15(12)20)21-17(23)19(9-10-19)18(24)22-16-6-4-3-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKKKUTIQQFVHDGF-UHFFFAOYSA-N
XLogP4.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.42
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'-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980646
1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980653
1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974660
1-N-(4-bromophenyl)-1-N'-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981325
1-N'-(2-chlorophenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980660
1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981811
1-N-(2,4-difluorophenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980715
N-(3-bromo-4-methylphenyl)-3-(2-methylanilino)propanamide
CID 109034087
1-N-(3-chloro-4-methylphenyl)-1-N'-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982818
1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980761
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975398

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide (CID 108980672) is 1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide is Cc1ccc(NC(=O)C2(C(=O)Nc3ccccc3C)CC2)cc1Br.
What is the InChIKey of 1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is KKKUTIQQFVHDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-12-7-8-14(11-15(12)20)21-17(23)19(9-10-19)18(24)22-16-6-4-3-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 387.28 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).