N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide

C16H14ClF2NO3 — CID 60599227

IUPACN-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C16H14ClF2NO3/c1-20(6-7-23-12-4-2-10(17)3-5-12)16(22)15-13(19)8-11(18)9-14(15)21/h2-5,8-9,21H,6-7H2,1H3
InChIKeyKSGDALQILBEFAB-UHFFFAOYSA-N
MW341.74 g/mol
LogP3.47
Rot. Bonds5

About N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide

N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide (PubChem CID 60599227) has the molecular formula C16H14ClF2NO3 and a molecular weight of 341.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide
PubChem CID60599227
Molecular FormulaC16H14ClF2NO3
Molecular Weight341.74 g/mol
Exact Mass341.06
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C16H14ClF2NO3/c1-20(6-7-23-12-4-2-10(17)3-5-12)16(22)15-13(19)8-11(18)9-14(15)21/h2-5,8-9,21H,6-7H2,1H3
InChIKeyKSGDALQILBEFAB-UHFFFAOYSA-N
XLogP3.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
CID 60589214
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
CID 103803146
2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 134028048
2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431133
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 60718587
N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide
CID 112792732
3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61114488
N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 112792660

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide (CID 60599227) is N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1c(O)cc(F)cc1F.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide?
The InChIKey is KSGDALQILBEFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO3/c1-20(6-7-23-12-4-2-10(17)3-5-12)16(22)15-13(19)8-11(18)9-14(15)21/h2-5,8-9,21H,6-7H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide?
N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide has a molecular weight of 341.74 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide is sourced from PubChem (CID 60599227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).