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

C18H17Cl2NO3 — CID 2928962

IUPAC2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)c(OC)c1
InChIInChI=1S/C18H17Cl2NO3/c1-23-12-8-9-13(14(10-12)24-2)21-17(22)16-15(18(16,19)20)11-6-4-3-5-7-11/h3-10,15-16H,1-2H3,(H,21,22)
InChIKeyBNOSCKRHCKTBNE-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.23
Rot. Bonds5

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

2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide (PubChem CID 2928962) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is 2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide
PubChem CID2928962
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)c(OC)c1
InChIInChI=1S/C18H17Cl2NO3/c1-23-12-8-9-13(14(10-12)24-2)21-17(22)16-15(18(16,19)20)11-6-4-3-5-7-11/h3-10,15-16H,1-2H3,(H,21,22)
InChIKeyBNOSCKRHCKTBNE-UHFFFAOYSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide (CID 2928962) is 2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide is COc1ccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)c(OC)c1.
What is the InChIKey of 2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide?
The InChIKey is BNOSCKRHCKTBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-23-12-8-9-13(14(10-12)24-2)21-17(22)16-15(18(16,19)20)11-6-4-3-5-7-11/h3-10,15-16H,1-2H3,(H,21,22).
What are the key properties of 2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide?
2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide has a molecular weight of 366.24 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2928962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).