1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide

C20H22ClNO3 — CID 112765724

IUPAC1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H22ClNO3/c1-3-24-16-9-10-18(25-4-2)17(13-16)22-19(23)20(11-12-20)14-5-7-15(21)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23)
InChIKeyZXYIFTMDEVUXML-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.81
Rot. Bonds7

About 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 112765724) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID112765724
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H22ClNO3/c1-3-24-16-9-10-18(25-4-2)17(13-16)22-19(23)20(11-12-20)14-5-7-15(21)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23)
InChIKeyZXYIFTMDEVUXML-UHFFFAOYSA-N
XLogP4.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide
CID 100746676
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-diethoxyphenyl)acetamide
CID 24566651
1-amino-N-(5-chloro-2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463820
2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide
CID 43000685
N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 86857924
N-(5-acetamido-2-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 26243035
4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide
CID 16549738
1-(4-chlorophenyl)-N-(8-ethoxyquinolin-5-yl)cyclopentane-1-carboxamide
CID 100770049
2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
CID 43328839
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 29457055

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide (CID 112765724) is 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide is CCOc1ccc(OCC)c(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is ZXYIFTMDEVUXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-3-24-16-9-10-18(25-4-2)17(13-16)22-19(23)20(11-12-20)14-5-7-15(21)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23).
What are the key properties of 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 359.85 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 112765724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).