2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide

C18H17Cl2NO2 — CID 2857069

IUPAC2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)cc1
InChIInChI=1S/C18H17Cl2NO2/c1-2-23-14-10-8-13(9-11-14)21-17(22)16-15(18(16,19)20)12-6-4-3-5-7-12/h3-11,15-16H,2H2,1H3,(H,21,22)
InChIKeyOQEOURSBBKHIOR-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.61
Rot. Bonds5

About 2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide

2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide (PubChem CID 2857069) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is 2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide
PubChem CID2857069
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC Name2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)cc1
InChIInChI=1S/C18H17Cl2NO2/c1-2-23-14-10-8-13(9-11-14)21-17(22)16-15(18(16,19)20)12-6-4-3-5-7-12/h3-11,15-16H,2H2,1H3,(H,21,22)
InChIKeyOQEOURSBBKHIOR-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide (CID 2857069) is 2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide is CCOc1ccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)cc1.
What is the InChIKey of 2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide?
The InChIKey is OQEOURSBBKHIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c1-2-23-14-10-8-13(9-11-14)21-17(22)16-15(18(16,19)20)12-6-4-3-5-7-12/h3-11,15-16H,2H2,1H3,(H,21,22).
What are the key properties of 2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide?
2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide has a molecular weight of 350.25 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(4-ethoxyphenyl)-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2857069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).