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

C22H25ClN2O2 — CID 108976096

IUPAC1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25ClN2O2/c1-14(2)18-6-4-5-15(3)19(18)25-21(27)22(11-12-22)20(26)24-13-16-7-9-17(23)10-8-16/h4-10,14H,11-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyGOBVPZWTJKFFEE-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.81
Rot. Bonds6

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

1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108976096) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108976096
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25ClN2O2/c1-14(2)18-6-4-5-15(3)19(18)25-21(27)22(11-12-22)20(26)24-13-16-7-9-17(23)10-8-16/h4-10,14H,11-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyGOBVPZWTJKFFEE-UHFFFAOYSA-N
XLogP4.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.81
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-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982167
1-N'-(2-methyl-6-propan-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976842
1-N-(3-chloro-4-fluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982168
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976105
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977765
1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 80592389
1-N',1-N'-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979075
1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982192
1-N'-(4-chlorophenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976103
1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974824
1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974702

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108976096) is 1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is Cc1cccc(C(C)C)c1NC(=O)C1(C(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is GOBVPZWTJKFFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-14(2)18-6-4-5-15(3)19(18)25-21(27)22(11-12-22)20(26)24-13-16-7-9-17(23)10-8-16/h4-10,14H,11-13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).