1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide

C21H23ClN2O3 — CID 108977692

IUPAC1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1
InChIInChI=1S/C21H23ClN2O3/c1-14-6-7-16(13-18(14)22)24-20(26)21(9-10-21)19(25)23-11-8-15-4-3-5-17(12-15)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCVLFRTAWLCOOFN-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.73
Rot. Bonds7

About 1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide

1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108977692) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
PubChem CID108977692
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1
InChIInChI=1S/C21H23ClN2O3/c1-14-6-7-16(13-18(14)22)24-20(26)21(9-10-21)19(25)23-11-8-15-4-3-5-17(12-15)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCVLFRTAWLCOOFN-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.73
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'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977669
1-N-[2-(3-methoxyphenyl)ethyl]-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977662
1-N'-(2,6-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977671
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779
1-N'-(2-methoxyphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977694
1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977684
1-N'-(3,4-dichlorophenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977196
N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948741
1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977809
1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 108974104
1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977169

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide (CID 108977692) is 1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide is COc1cccc(CCNC(=O)C2(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1.
What is the InChIKey of 1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is CVLFRTAWLCOOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-14-6-7-16(13-18(14)22)24-20(26)21(9-10-21)19(25)23-11-8-15-4-3-5-17(12-15)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).