N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide

C17H18ClNO4 — CID 112792660

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CCOc2ccc(Cl)cc2)c1O
InChIInChI=1S/C17H18ClNO4/c1-19(10-11-23-13-8-6-12(18)7-9-13)17(21)14-4-3-5-15(22-2)16(14)20/h3-9,20H,10-11H2,1-2H3
InChIKeySVTZNMQGXVJSRK-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide

N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide (PubChem CID 112792660) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
PubChem CID112792660
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CCOc2ccc(Cl)cc2)c1O
InChIInChI=1S/C17H18ClNO4/c1-19(10-11-23-13-8-6-12(18)7-9-13)17(21)14-4-3-5-15(22-2)16(14)20/h3-9,20H,10-11H2,1-2H3
InChIKeySVTZNMQGXVJSRK-UHFFFAOYSA-N
XLogP3.21
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide
CID 112792732
N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
CID 31643858
N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide
CID 75455669
2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924906
2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide
CID 113239185
2-[2-(4-chlorophenoxy)ethoxy]-3-methoxybenzoic acid
CID 22680011
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 55605627
N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26622481
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 134028048
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide (CID 112792660) is N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)CCOc2ccc(Cl)cc2)c1O.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
The InChIKey is SVTZNMQGXVJSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-19(10-11-23-13-8-6-12(18)7-9-13)17(21)14-4-3-5-15(22-2)16(14)20/h3-9,20H,10-11H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide has a molecular weight of 335.79 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 112792660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).