1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide

C19H19ClN2O2 — CID 108981473

IUPAC1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2(C(=O)Nc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C19H19ClN2O2/c1-12-9-13(2)11-16(10-12)22-18(24)19(7-8-19)17(23)21-15-5-3-14(20)4-6-15/h3-6,9-11H,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCHQFUGQNDVTDHZ-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.31
Rot. Bonds4

About 1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide

1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981473) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981473
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2(C(=O)Nc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C19H19ClN2O2/c1-12-9-13(2)11-16(10-12)22-18(24)19(7-8-19)17(23)21-15-5-3-14(20)4-6-15/h3-6,9-11H,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCHQFUGQNDVTDHZ-UHFFFAOYSA-N
XLogP4.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.31
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'-(3,5-dichlorophenyl)-1-N-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981521
1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981461
1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980871
1-N'-(3,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981505
1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981506
1-N'-(4-chlorophenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976103
1-N'-(4-chlorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982590
1-N'-(2-chlorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980864
1-N-(4-chlorophenyl)-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982578
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982828
1-N'-(2,5-dichlorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981442
1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979783

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981473) is 1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide is Cc1cc(C)cc(NC(=O)C2(C(=O)Nc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is CHQFUGQNDVTDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12-9-13(2)11-16(10-12)22-18(24)19(7-8-19)17(23)21-15-5-3-14(20)4-6-15/h3-6,9-11H,7-8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 342.83 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).