1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide

C18H16Cl2N2O3 — CID 109143352

IUPAC1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O3/c1-25-16-5-3-2-4-15(16)22-18(24)14-9-13(14)17(23)21-12-7-10(19)6-11(20)8-12/h2-8,13-14H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyPABFPRICOAGIIA-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.22
Rot. Bonds5

About 1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide

1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109143352) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109143352
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O3/c1-25-16-5-3-2-4-15(16)22-18(24)14-9-13(14)17(23)21-12-7-10(19)6-11(20)8-12/h2-8,13-14H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyPABFPRICOAGIIA-UHFFFAOYSA-N
XLogP4.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109143352) is 1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide is COc1ccccc1NC(=O)C1CC1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is PABFPRICOAGIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-25-16-5-3-2-4-15(16)22-18(24)14-9-13(14)17(23)21-12-7-10(19)6-11(20)8-12/h2-8,13-14H,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide?
1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 379.24 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).