1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide

C19H19BrN2O2 — CID 108981811

IUPAC1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccc(NC(=O)C2(C(=O)Nc3ccccc3Br)CC2)cc1
InChIInChI=1S/C19H19BrN2O2/c1-2-13-7-9-14(10-8-13)21-17(23)19(11-12-19)18(24)22-16-6-4-3-5-15(16)20/h3-10H,2,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyVLDPYNUEFAEVHR-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.37
Rot. Bonds5

About 1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981811) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981811
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccc(NC(=O)C2(C(=O)Nc3ccccc3Br)CC2)cc1
InChIInChI=1S/C19H19BrN2O2/c1-2-13-7-9-14(10-8-13)21-17(23)19(11-12-19)18(24)22-16-6-4-3-5-15(16)20/h3-10H,2,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyVLDPYNUEFAEVHR-UHFFFAOYSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.37
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-chlorophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981773
1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981461
1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971329
1-N'-(2-bromophenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975890
1-N'-(4-ethylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970880
1-N'-(4-ethylphenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971270
1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980672
2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
CID 1313742
1-N'-(2-ethylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981717
1-N'-(2-ethoxyphenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980570
1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979652
1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982380

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981811) is 1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide is CCc1ccc(NC(=O)C2(C(=O)Nc3ccccc3Br)CC2)cc1.
What is the InChIKey of 1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is VLDPYNUEFAEVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-2-13-7-9-14(10-8-13)21-17(23)19(11-12-19)18(24)22-16-6-4-3-5-15(16)20/h3-10H,2,11-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 387.28 g/mol, XLogP of 4.37, 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-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).