2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide

C17H17Cl2NO2 — CID 90598769

IUPAC2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
SMILESCOC(CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1C
InChIInChI=1S/C17H17Cl2NO2/c1-11-5-3-4-6-13(11)16(22-2)10-20-17(21)14-8-7-12(18)9-15(14)19/h3-9,16H,10H2,1-2H3,(H,20,21)
InChIKeyUOEBZNGMAAZNSA-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.42
Rot. Bonds5

About 2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide

2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide (PubChem CID 90598769) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
PubChem CID90598769
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
SMILESCOC(CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1C
InChIInChI=1S/C17H17Cl2NO2/c1-11-5-3-4-6-13(11)16(22-2)10-20-17(21)14-8-7-12(18)9-15(14)19/h3-9,16H,10H2,1-2H3,(H,20,21)
InChIKeyUOEBZNGMAAZNSA-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
2,4-dichloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623355
2,4-dichloro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 51164454
2,3,4-trimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598793
1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea
CID 97417892
5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide
CID 111120000
4-fluoro-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 97417642
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2,4-dimethylbenzamide
CID 90597947
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 90598746
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide
CID 90623752

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide (CID 90598769) is 2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide is COC(CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1C.
What is the InChIKey of 2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide?
The InChIKey is UOEBZNGMAAZNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-11-5-3-4-6-13(11)16(22-2)10-20-17(21)14-8-7-12(18)9-15(14)19/h3-9,16H,10H2,1-2H3,(H,20,21).
What are the key properties of 2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide?
2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide has a molecular weight of 338.23 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 90598769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).