1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide

C20H21ClN2O4 — CID 108982890

IUPAC1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1(C(=O)Nc2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C20H21ClN2O4/c1-3-27-17-7-5-4-6-15(17)23-19(25)20(10-11-20)18(24)22-13-8-9-16(26-2)14(21)12-13/h4-9,12H,3,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYATNAJSLHCPBKB-UHFFFAOYSA-N
MW388.85 g/mol
LogP4.10
Rot. Bonds7

About 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide

1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982890) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982890
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1(C(=O)Nc2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C20H21ClN2O4/c1-3-27-17-7-5-4-6-15(17)23-19(25)20(10-11-20)18(24)22-13-8-9-16(26-2)14(21)12-13/h4-9,12H,3,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYATNAJSLHCPBKB-UHFFFAOYSA-N
XLogP4.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 54.10
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

N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955393
1-N'-(2-ethoxyphenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980570
1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982380
N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969247
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982684
1-N-butyl-1-N'-(3-chloro-4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971097
1-N'-(5-chloro-2-methylphenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982689
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 1412146
1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975995
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982906
1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982976
1-N'-(3-chloro-4-methoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975139

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108982890) is 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide is CCOc1ccccc1NC(=O)C1(C(=O)Nc2ccc(OC)c(Cl)c2)CC1.
What is the InChIKey of 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is YATNAJSLHCPBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-3-27-17-7-5-4-6-15(17)23-19(25)20(10-11-20)18(24)22-13-8-9-16(26-2)14(21)12-13/h4-9,12H,3,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 388.85 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).