1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide

C18H16ClFN2O2 — CID 108980871

IUPAC1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1
InChIInChI=1S/C18H16ClFN2O2/c1-11-2-4-12(5-3-11)21-16(23)18(8-9-18)17(24)22-13-6-7-15(20)14(19)10-13/h2-7,10H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyRFTRKXWBEOAAOE-UHFFFAOYSA-N
MW346.79 g/mol
LogP4.14
Rot. Bonds4

About 1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108980871) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108980871
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1
InChIInChI=1S/C18H16ClFN2O2/c1-11-2-4-12(5-3-11)21-16(23)18(8-9-18)17(24)22-13-6-7-15(20)14(19)10-13/h2-7,10H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyRFTRKXWBEOAAOE-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.14
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-chloro-4-fluorophenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981242
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982828
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971482
1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981473
1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 108974500
1-N-(3-chloro-4-fluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982168
N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971674
1-N'-(2-chlorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980864
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982777
1-carbamothioyl-N-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxamide
CID 80592744
2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
CID 42910446

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide (CID 108980871) is 1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide is Cc1ccc(NC(=O)C2(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1.
What is the InChIKey of 1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is RFTRKXWBEOAAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-11-2-4-12(5-3-11)21-16(23)18(8-9-18)17(24)22-13-6-7-15(20)14(19)10-13/h2-7,10H,8-9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 346.79 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).