2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide

C17H17Cl2NO3 — CID 110291126

IUPAC2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccc(C(O)CN(C)C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3/c1-20(17(22)14-8-5-12(18)9-15(14)19)10-16(21)11-3-6-13(23-2)7-4-11/h3-9,16,21H,10H2,1-2H3
InChIKeyJHDROEPISMFPHJ-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.81
Rot. Bonds5

About 2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide

2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 110291126) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID110291126
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccc(C(O)CN(C)C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3/c1-20(17(22)14-8-5-12(18)9-15(14)19)10-16(21)11-3-6-13(23-2)7-4-11/h3-9,16,21H,10H2,1-2H3
InChIKeyJHDROEPISMFPHJ-UHFFFAOYSA-N
XLogP3.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 61112358
2,4-dichloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 8835872
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-phenylbenzamide
CID 110291119
[(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 8008987
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide
CID 110313652
2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
CID 63391248
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
CID 110308848
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508278
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291163

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide (CID 110291126) is 2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide is COc1ccc(C(O)CN(C)C(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is JHDROEPISMFPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-20(17(22)14-8-5-12(18)9-15(14)19)10-16(21)11-3-6-13(23-2)7-4-11/h3-9,16,21H,10H2,1-2H3.
What are the key properties of 2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 354.23 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 110291126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).