1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide

C18H14BrN3O2 — CID 109144038

IUPAC1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
SMILESN#Cc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C18H14BrN3O2/c19-12-2-1-3-14(8-12)22-18(24)16-9-15(16)17(23)21-13-6-4-11(10-20)5-7-13/h1-8,15-16H,9H2,(H,21,23)(H,22,24)
InChIKeyZFRVXXDIJAOVCT-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.53
Rot. Bonds4

About 1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide

1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109144038) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109144038
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
SMILESN#Cc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C18H14BrN3O2/c19-12-2-1-3-14(8-12)22-18(24)16-9-15(16)17(23)21-13-6-4-11(10-20)5-7-13/h1-8,15-16H,9H2,(H,21,23)(H,22,24)
InChIKeyZFRVXXDIJAOVCT-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
1-N-(3-cyanophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141101
1-N-(3-cyanophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143462
2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144039
1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143222
N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
CID 26437461
2-N-(4-cyanophenyl)-1-N-(2,3-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144193
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143641
1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143968
N-(3-bromophenyl)-3-(4-cyanoanilino)propanamide
CID 109042157
2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide
CID 109140751

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide (CID 109144038) is 1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide is N#Cc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of 1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is ZFRVXXDIJAOVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c19-12-2-1-3-14(8-12)22-18(24)16-9-15(16)17(23)21-13-6-4-11(10-20)5-7-13/h1-8,15-16H,9H2,(H,21,23)(H,22,24).
What are the key properties of 1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide?
1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 384.23 g/mol, XLogP of 3.53, 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)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109144038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).