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

C19H19ClN2O4 — CID 108982910

IUPAC1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cccc(NC(=O)C2(C(=O)Nc3cc(Cl)ccc3OC)CC2)c1
InChIInChI=1S/C19H19ClN2O4/c1-25-14-5-3-4-13(11-14)21-17(23)19(8-9-19)18(24)22-15-10-12(20)6-7-16(15)26-2/h3-7,10-11H,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyUMSKNQUJKBHZKN-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.71
Rot. Bonds6

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

1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982910) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982910
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cccc(NC(=O)C2(C(=O)Nc3cc(Cl)ccc3OC)CC2)c1
InChIInChI=1S/C19H19ClN2O4/c1-25-14-5-3-4-13(11-14)21-17(23)19(8-9-19)18(24)22-15-10-12(20)6-7-16(15)26-2/h3-7,10-11H,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyUMSKNQUJKBHZKN-UHFFFAOYSA-N
XLogP3.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982578
1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983285
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982635
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982684
1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982691
1-N'-(2,5-dimethoxyphenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980885
1-N'-(2,5-dimethoxyphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982042
1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981560
1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982976
1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971485
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7698294

Frequently Asked Questions

What is the IUPAC name of 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108982910) is 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide is COc1cccc(NC(=O)C2(C(=O)Nc3cc(Cl)ccc3OC)CC2)c1.
What is the InChIKey of 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is UMSKNQUJKBHZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-25-14-5-3-4-13(11-14)21-17(23)19(8-9-19)18(24)22-15-10-12(20)6-7-16(15)26-2/h3-7,10-11H,8-9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 374.82 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).