1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide

C18H17BrN2O3 — CID 108982976

IUPAC1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1(C(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C18H17BrN2O3/c1-24-15-8-3-2-7-14(15)21-17(23)18(9-10-18)16(22)20-13-6-4-5-12(19)11-13/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJSUYUWGRROSNHG-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.82
Rot. Bonds5

About 1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide

1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982976) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982976
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1(C(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C18H17BrN2O3/c1-24-15-8-3-2-7-14(15)21-17(23)18(9-10-18)16(22)20-13-6-4-5-12(19)11-13/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJSUYUWGRROSNHG-UHFFFAOYSA-N
XLogP3.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
1-[(5-bromo-2-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096794
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982910
1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983285
1-N-cyclopropyl-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108970708
(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
CID 9273986
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982890
1-N'-(2-ethoxyphenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980570
1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108983671
1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980761
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108982976) is 1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide is COc1ccccc1NC(=O)C1(C(=O)Nc2cccc(Br)c2)CC1.
What is the InChIKey of 1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is JSUYUWGRROSNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-24-15-8-3-2-7-14(15)21-17(23)18(9-10-18)16(22)20-13-6-4-5-12(19)11-13/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 389.25 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).