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

C17H14ClFN2O2 — CID 108982541

IUPAC1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)C1(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H14ClFN2O2/c18-11-3-1-5-13(9-11)20-15(22)17(7-8-17)16(23)21-14-6-2-4-12(19)10-14/h1-6,9-10H,7-8H2,(H,20,22)(H,21,23)
InChIKeyHECDSBRSKIZKML-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.84
Rot. Bonds4

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

1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982541) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is 1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982541
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)C1(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H14ClFN2O2/c18-11-3-1-5-13(9-11)20-15(22)17(7-8-17)16(23)21-14-6-2-4-12(19)10-14/h1-6,9-10H,7-8H2,(H,20,22)(H,21,23)
InChIKeyHECDSBRSKIZKML-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N'-(5-chloro-2-methylphenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982710
1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096058
1-N'-(3-acetylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982529
1-N-(4-bromophenyl)-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982934
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983653
1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
CID 108971860
1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979827
1-N'-(3-chloro-2-methylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982506
1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983639
N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972050
1-N-(3-chlorophenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975424

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108982541) is 1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide is O=C(Nc1cccc(F)c1)C1(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is HECDSBRSKIZKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c18-11-3-1-5-13(9-11)20-15(22)17(7-8-17)16(23)21-14-6-2-4-12(19)10-14/h1-6,9-10H,7-8H2,(H,20,22)(H,21,23).
What are the key properties of 1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 332.76 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).