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

C18H14FN3O2 — CID 108983653

IUPAC1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2(C(=O)Nc3cccc(F)c3)CC2)c1
InChIInChI=1S/C18H14FN3O2/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)
InChIKeyYGWDCPUKLIMDTM-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.05
Rot. Bonds4

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

1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983653) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983653
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2(C(=O)Nc3cccc(F)c3)CC2)c1
InChIInChI=1S/C18H14FN3O2/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)
InChIKeyYGWDCPUKLIMDTM-UHFFFAOYSA-N
XLogP3.05
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.05
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-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108983671
1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983097
1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982541
1-N-(4-bromophenyl)-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982934
1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983805
1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108976029
ethyl 4-[[1-[(3-cyanophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983739
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-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983639
1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108976489
1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979827

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108983653) is 1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide is N#Cc1cccc(NC(=O)C2(C(=O)Nc3cccc(F)c3)CC2)c1.
What is the InChIKey of 1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is YGWDCPUKLIMDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/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-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 323.33 g/mol, XLogP of 3.05, 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-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).