1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide

C19H18Cl2N2O2 — CID 108976105

IUPAC1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18Cl2N2O2/c1-12-2-5-15(21)10-16(12)23-18(25)19(8-9-19)17(24)22-11-13-3-6-14(20)7-4-13/h2-7,10H,8-9,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyGSFKCKLKKQJEDZ-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.34
Rot. Bonds5

About 1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108976105) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108976105
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18Cl2N2O2/c1-12-2-5-15(21)10-16(12)23-18(25)19(8-9-19)17(24)22-11-13-3-6-14(20)7-4-13/h2-7,10H,8-9,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyGSFKCKLKKQJEDZ-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.34
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-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974824
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
1-N-(5-chloro-2-methylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981552
1-N'-(4-chlorophenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976103
N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946767
1-N'-(5-chloro-2-methylphenyl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970699
1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976096
1-N'-tert-butyl-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976064
1-N-(3-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982630
1-N'-(4-chloro-2-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976852
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
methyl 1-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184435

Frequently Asked Questions

What is the IUPAC name of 1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108976105) is 1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide is Cc1ccc(Cl)cc1NC(=O)C1(C(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is GSFKCKLKKQJEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-12-2-5-15(21)10-16(12)23-18(25)19(8-9-19)17(24)22-11-13-3-6-14(20)7-4-13/h2-7,10H,8-9,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 377.27 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).