1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide

C18H17FN2O2 — CID 108980761

IUPAC1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(NC(=O)C2(C(=O)Nc3ccccc3F)CC2)c1
InChIInChI=1S/C18H17FN2O2/c1-12-5-4-6-13(11-12)20-16(22)18(9-10-18)17(23)21-15-8-3-2-7-14(15)19/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyVQSMELBVFPYDGR-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.49
Rot. Bonds4

About 1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108980761) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108980761
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(NC(=O)C2(C(=O)Nc3ccccc3F)CC2)c1
InChIInChI=1S/C18H17FN2O2/c1-12-5-4-6-13(11-12)20-16(22)18(9-10-18)17(23)21-15-8-3-2-7-14(15)19/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyVQSMELBVFPYDGR-UHFFFAOYSA-N
XLogP3.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
1-N'-(3-methylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108980789
1-N-(2-fluorophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141026
1-N-(4-tert-butylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980760
methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108980795
6-N-(2-fluorophenyl)-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100120
1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096644
1-N'-(3-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974958
1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982309
1-N',1-N'-diethyl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108979078
1-N'-(5-chloro-2-methylphenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982710
1-N-(2,4-difluorophenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980715

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide (CID 108980761) is 1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide is Cc1cccc(NC(=O)C2(C(=O)Nc3ccccc3F)CC2)c1.
What is the InChIKey of 1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is VQSMELBVFPYDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12-5-4-6-13(11-12)20-16(22)18(9-10-18)17(23)21-15-8-3-2-7-14(15)19/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 312.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).