1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide

C19H18Cl2N2O3 — CID 108982635

IUPAC1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1(C(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C19H18Cl2N2O3/c1-11-13(21)4-3-5-14(11)22-17(24)19(8-9-19)18(25)23-15-10-12(20)6-7-16(15)26-2/h3-7,10H,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOLUURHOGHBOTPP-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.67
Rot. Bonds5

About 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982635) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982635
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1(C(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C19H18Cl2N2O3/c1-11-13(21)4-3-5-14(11)22-17(24)19(8-9-19)18(25)23-15-10-12(20)6-7-16(15)26-2/h3-7,10H,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOLUURHOGHBOTPP-UHFFFAOYSA-N
XLogP4.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.67
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-(3-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982630
1-N-(3-chloro-2-methylphenyl)-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982631
1-N'-(3-chloro-2-methylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982506
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982910
1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982691
1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982670
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981643
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982684
1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971485
N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955088
N-(3-chloro-2-methylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80590922
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7466943

Frequently Asked Questions

What is the IUPAC name of 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide (CID 108982635) is 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide is COc1ccc(Cl)cc1NC(=O)C1(C(=O)Nc2cccc(Cl)c2C)CC1.
What is the InChIKey of 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is OLUURHOGHBOTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-11-13(21)4-3-5-14(11)22-17(24)19(8-9-19)18(25)23-15-10-12(20)6-7-16(15)26-2/h3-7,10H,8-9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 393.27 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).