1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide

C21H23ClN2O3 — CID 108976230

IUPAC1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccccc1CNC(=O)C1(C(=O)Nc2c(C)cc(C)cc2Cl)CC1
InChIInChI=1S/C21H23ClN2O3/c1-13-10-14(2)18(16(22)11-13)24-20(26)21(8-9-21)19(25)23-12-15-6-4-5-7-17(15)27-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZORFTCRHTSOOMS-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.00
Rot. Bonds6

About 1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108976230) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108976230
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccccc1CNC(=O)C1(C(=O)Nc2c(C)cc(C)cc2Cl)CC1
InChIInChI=1S/C21H23ClN2O3/c1-13-10-14(2)18(16(22)11-13)24-20(26)21(8-9-21)19(25)23-12-15-6-4-5-7-17(15)27-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZORFTCRHTSOOMS-UHFFFAOYSA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[(2-methoxyphenyl)methyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976215
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946925
1-N-[(2-methylphenyl)methyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974975
1-N-[(2-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976196
1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976242
N-(2-chloro-4,6-dimethylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438924
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974919
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982372
1-N'-(2,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974963
5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234228
1-N'-(3,5-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974966
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025421

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108976230) is 1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide is COc1ccccc1CNC(=O)C1(C(=O)Nc2c(C)cc(C)cc2Cl)CC1.
What is the InChIKey of 1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is ZORFTCRHTSOOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-13-10-14(2)18(16(22)11-13)24-20(26)21(8-9-21)19(25)23-12-15-6-4-5-7-17(15)27-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 386.88 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).