2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide

C16H12Cl3NO — CID 2832305

IUPAC2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C16H12Cl3NO/c17-11-8-4-5-9-12(11)20-15(21)14-13(16(14,18)19)10-6-2-1-3-7-10/h1-9,13-14H,(H,20,21)
InChIKeyIZNCOMVUSQSJNF-UHFFFAOYSA-N
MW340.64 g/mol
LogP4.87
Rot. Bonds3

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

2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide (PubChem CID 2832305) has the molecular formula C16H12Cl3NO and a molecular weight of 340.64 g/mol. Its IUPAC name is 2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide
PubChem CID2832305
Molecular FormulaC16H12Cl3NO
Molecular Weight340.64 g/mol
Exact Mass339.00
IUPAC Name2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C16H12Cl3NO/c17-11-8-4-5-9-12(11)20-15(21)14-13(16(14,18)19)10-6-2-1-3-7-10/h1-9,13-14H,(H,20,21)
InChIKeyIZNCOMVUSQSJNF-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.64
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide (CID 2832305) is 2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide is O=C(Nc1ccccc1Cl)C1C(c2ccccc2)C1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide?
The InChIKey is IZNCOMVUSQSJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO/c17-11-8-4-5-9-12(11)20-15(21)14-13(16(14,18)19)10-6-2-1-3-7-10/h1-9,13-14H,(H,20,21).
What are the key properties of 2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide?
2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide has a molecular weight of 340.64 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2832305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).