1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide

C21H23ClN2O2 — CID 108982167

IUPAC1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O2/c1-13(2)17-6-4-5-14(3)18(17)24-20(26)21(11-12-21)19(25)23-16-9-7-15(22)8-10-16/h4-10,13H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyCVYBJBRKIPOESX-UHFFFAOYSA-N
MW370.88 g/mol
LogP5.13
Rot. Bonds5

About 1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982167) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982167
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O2/c1-13(2)17-6-4-5-14(3)18(17)24-20(26)21(11-12-21)19(25)23-16-9-7-15(22)8-10-16/h4-10,13H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyCVYBJBRKIPOESX-UHFFFAOYSA-N
XLogP5.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.88
LogP ≤ 55.13
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-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982168
1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976096
1-N-(1,3-benzodioxol-5-yl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982189
1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 80592389
1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982192
1-N',1-N'-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979075
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
1-amino-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 65465254
1-N-(5-chloro-2-methylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981552
methyl 2-[[1-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982184
1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 4195925
2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 51297991

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108982167) is 1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is Cc1cccc(C(C)C)c1NC(=O)C1(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is CVYBJBRKIPOESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-13(2)17-6-4-5-14(3)18(17)24-20(26)21(11-12-21)19(25)23-16-9-7-15(22)8-10-16/h4-10,13H,11-12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 370.88 g/mol, XLogP of 5.13, 5 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'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).