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

C20H21ClN2O3 — CID 108982691

IUPAC1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(C(=O)Nc2cc(Cl)ccc2C)CC1
InChIInChI=1S/C20H21ClN2O3/c1-12-4-7-17(26-3)16(10-12)23-19(25)20(8-9-20)18(24)22-15-11-14(21)6-5-13(15)2/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYLHBNEFIFBDLSK-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.32
Rot. Bonds5

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

1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982691) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982691
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(C(=O)Nc2cc(Cl)ccc2C)CC1
InChIInChI=1S/C20H21ClN2O3/c1-12-4-7-17(26-3)16(10-12)23-19(25)20(8-9-20)18(24)22-15-11-14(21)6-5-13(15)2/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYLHBNEFIFBDLSK-UHFFFAOYSA-N
XLogP4.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.32
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'-(2,5-dimethoxyphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981334
1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981368
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982684
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982635
1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 17283684
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
1-carbamothioyl-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 80591589
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982910
1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971485
1-N-(5-chloro-2-methylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981552
1-N'-(5-chloro-2-methylphenyl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970699
1-N'-(5-chloro-2-methylphenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982689

Frequently Asked Questions

What is the IUPAC name of 1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide (CID 108982691) is 1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide is COc1ccc(C)cc1NC(=O)C1(C(=O)Nc2cc(Cl)ccc2C)CC1.
What is the InChIKey of 1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is YLHBNEFIFBDLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-12-4-7-17(26-3)16(10-12)23-19(25)20(8-9-20)18(24)22-15-11-14(21)6-5-13(15)2/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 372.85 g/mol, XLogP of 4.32, 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-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).