3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide

C16H17Cl2NO3 — CID 3675221

IUPAC3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)NC(O)C(=O)c1ccccc1
InChIInChI=1S/C16H17Cl2NO3/c1-16(2)10(8-11(17)18)12(16)14(21)19-15(22)13(20)9-6-4-3-5-7-9/h3-8,10,12,15,22H,1-2H3,(H,19,21)
InChIKeyRXSZYVLSKBOPLV-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.90
Rot. Bonds5

About 3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide

3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 3675221) has the molecular formula C16H17Cl2NO3 and a molecular weight of 342.22 g/mol. Its IUPAC name is 3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID3675221
Molecular FormulaC16H17Cl2NO3
Molecular Weight342.22 g/mol
Exact Mass341.06
IUPAC Name3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)NC(O)C(=O)c1ccccc1
InChIInChI=1S/C16H17Cl2NO3/c1-16(2)10(8-11(17)18)12(16)14(21)19-15(22)13(20)9-6-4-3-5-7-9/h3-8,10,12,15,22H,1-2H3,(H,19,21)
InChIKeyRXSZYVLSKBOPLV-UHFFFAOYSA-N
XLogP2.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 3675221) is 3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)C(C=C(Cl)Cl)C1C(=O)NC(O)C(=O)c1ccccc1.
What is the InChIKey of 3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is RXSZYVLSKBOPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3/c1-16(2)10(8-11(17)18)12(16)14(21)19-15(22)13(20)9-6-4-3-5-7-9/h3-8,10,12,15,22H,1-2H3,(H,19,21).
What are the key properties of 3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide?
3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 342.22 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dichloroethenyl)-N-(1-hydroxy-2-oxo-2-phenylethyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 3675221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).