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

C17H15Cl2NO2 — CID 2832306

IUPAC2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)c1
InChIInChI=1S/C17H15Cl2NO2/c1-22-13-9-5-8-12(10-13)20-16(21)15-14(17(15,18)19)11-6-3-2-4-7-11/h2-10,14-15H,1H3,(H,20,21)
InChIKeyQMVSIWSXZWDYER-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.22
Rot. Bonds4

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

2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide (PubChem CID 2832306) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is 2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide
PubChem CID2832306
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)c1
InChIInChI=1S/C17H15Cl2NO2/c1-22-13-9-5-8-12(10-13)20-16(21)15-14(17(15,18)19)11-6-3-2-4-7-11/h2-10,14-15H,1H3,(H,20,21)
InChIKeyQMVSIWSXZWDYER-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 780566
6-[(3-methoxyphenyl)carbamoyl]-2,5-diphenylcyclohex-3-ene-1-carboxylic acid
CID 3104487
trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 7033280
(3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide
CID 826005
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
1-(2-chlorophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2967716
(1S,2R,3S,4R)-2-N,3-N-bis(3-methoxyphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 6967054

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide (CID 2832306) is 2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide is COc1cccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)c1.
What is the InChIKey of 2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide?
The InChIKey is QMVSIWSXZWDYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c1-22-13-9-5-8-12(10-13)20-16(21)15-14(17(15,18)19)11-6-3-2-4-7-11/h2-10,14-15H,1H3,(H,20,21).
What are the key properties of 2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide?
2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide has a molecular weight of 336.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2832306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).