1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide

C18H13Cl2N3O2 — CID 108983805

IUPAC1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2(C(=O)Nc3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C18H13Cl2N3O2/c19-12-4-5-14(20)15(9-12)23-17(25)18(6-7-18)16(24)22-13-3-1-2-11(8-13)10-21/h1-5,8-9H,6-7H2,(H,22,24)(H,23,25)
InChIKeyQYALIQFKZJCZMF-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.22
Rot. Bonds4

About 1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide

1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983805) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983805
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Name1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2(C(=O)Nc3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C18H13Cl2N3O2/c19-12-4-5-14(20)15(9-12)23-17(25)18(6-7-18)16(24)22-13-3-1-2-11(8-13)10-21/h1-5,8-9H,6-7H2,(H,22,24)(H,23,25)
InChIKeyQYALIQFKZJCZMF-UHFFFAOYSA-N
XLogP4.22
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.22
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-(4-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983806
1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 155683538
1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983653
1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108983671
1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108976029
1-N'-(2,5-dichlorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981442
1-N-(3-cyanophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983729
1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983097
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
1-(2-amino-5-chlorophenyl)-3-(3-cyanophenyl)urea
CID 43245874
1-N'-(3-chloro-2-methylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982506
1-N'-(5-chloro-2-methylphenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982710

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide (CID 108983805) is 1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide is N#Cc1cccc(NC(=O)C2(C(=O)Nc3cc(Cl)ccc3Cl)CC2)c1.
What is the InChIKey of 1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is QYALIQFKZJCZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c19-12-4-5-14(20)15(9-12)23-17(25)18(6-7-18)16(24)22-13-3-1-2-11(8-13)10-21/h1-5,8-9H,6-7H2,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 374.23 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).