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

C16H12Cl3NO — CID 2832400

IUPAC2,2-dichloro-N-(2-chlorophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C16H12Cl3NO/c17-12-8-4-5-9-13(12)20-14(21)15(10-16(15,18)19)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21)
InChIKeyKYQQNZSTHWBUBL-UHFFFAOYSA-N
MW340.64 g/mol
LogP4.79
Rot. Bonds3

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

2,2-dichloro-N-(2-chlorophenyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 2832400) has the molecular formula C16H12Cl3NO and a molecular weight of 340.64 g/mol. Its IUPAC name is 2,2-dichloro-N-(2-chlorophenyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2-chlorophenyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID2832400
Molecular FormulaC16H12Cl3NO
Molecular Weight340.64 g/mol
Exact Mass339.00
IUPAC Name2,2-dichloro-N-(2-chlorophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C16H12Cl3NO/c17-12-8-4-5-9-13(12)20-14(21)15(10-16(15,18)19)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21)
InChIKeyKYQQNZSTHWBUBL-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
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)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2-chlorophenyl)-1-phenylcyclopropane-1-carboxamide (CID 2832400) is 2,2-dichloro-N-(2-chlorophenyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2-chlorophenyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2-chlorophenyl)-1-phenylcyclopropane-1-carboxamide is O=C(Nc1ccccc1Cl)C1(c2ccccc2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2-chlorophenyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is KYQQNZSTHWBUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO/c17-12-8-4-5-9-13(12)20-14(21)15(10-16(15,18)19)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21).
What are the key properties of 2,2-dichloro-N-(2-chlorophenyl)-1-phenylcyclopropane-1-carboxamide?
2,2-dichloro-N-(2-chlorophenyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 340.64 g/mol, XLogP of 4.79, 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)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2832400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).