1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide

C18H14BrN3O2 — CID 108983671

IUPAC1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2(C(=O)Nc3cccc(Br)c3)CC2)c1
InChIInChI=1S/C18H14BrN3O2/c19-13-4-2-6-15(10-13)22-17(24)18(7-8-18)16(23)21-14-5-1-3-12(9-14)11-20/h1-6,9-10H,7-8H2,(H,21,23)(H,22,24)
InChIKeyHSZZJDOJUHQAAJ-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.68
Rot. Bonds4

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

1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983671) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983671
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2(C(=O)Nc3cccc(Br)c3)CC2)c1
InChIInChI=1S/C18H14BrN3O2/c19-13-4-2-6-15(10-13)22-17(24)18(7-8-18)16(23)21-14-5-1-3-12(9-14)11-20/h1-6,9-10H,7-8H2,(H,21,23)(H,22,24)
InChIKeyHSZZJDOJUHQAAJ-UHFFFAOYSA-N
XLogP3.68
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.68
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-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983653
1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983097
1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983805
ethyl 4-[[1-[(3-cyanophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983739
1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108976029
1-N-(3-cyanophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983729
1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
CID 81179740
1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108976489
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982976
N-(3-cyanophenyl)adamantane-1-carboxamide
CID 7788359

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide (CID 108983671) is 1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide is N#Cc1cccc(NC(=O)C2(C(=O)Nc3cccc(Br)c3)CC2)c1.
What is the InChIKey of 1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is HSZZJDOJUHQAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c19-13-4-2-6-15(10-13)22-17(24)18(7-8-18)16(23)21-14-5-1-3-12(9-14)11-20/h1-6,9-10H,7-8H2,(H,21,23)(H,22,24).
What are the key properties of 1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide?
1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 384.23 g/mol, XLogP of 3.68, 4 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'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).