1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide

C20H21ClN2O3 — CID 108975995

IUPAC1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C20H21ClN2O3/c1-2-26-17-10-6-5-9-16(17)23-19(25)20(11-12-20)18(24)22-13-14-7-3-4-8-15(14)21/h3-10H,2,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyWGKXINCVVLKHFN-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.77
Rot. Bonds7

About 1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide

1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108975995) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108975995
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C20H21ClN2O3/c1-2-26-17-10-6-5-9-16(17)23-19(25)20(11-12-20)18(24)22-13-14-7-3-4-8-15(14)21/h3-10H,2,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyWGKXINCVVLKHFN-UHFFFAOYSA-N
XLogP3.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(2-ethoxyphenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980570
1-N-[2-(dimethylamino)ethyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973512
1-N'-(5-chloro-2-methylphenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982689
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982890
1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977513
1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982380
1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975978
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108975947
1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974806
1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976242
1-N'-(2-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976705

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108975995) is 1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide is CCOc1ccccc1NC(=O)C1(C(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of 1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is WGKXINCVVLKHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-2-26-17-10-6-5-9-16(17)23-19(25)20(11-12-20)18(24)22-13-14-7-3-4-8-15(14)21/h3-10H,2,11-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).