N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide

C18H19ClFNO4 — CID 112788187

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1c(CO)cc(F)cc1CO)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFNO4/c19-15-3-1-12(2-4-15)5-6-21-17(24)11-25-18-13(9-22)7-16(20)8-14(18)10-23/h1-4,7-8,22-23H,5-6,9-11H2,(H,21,24)
InChIKeyQGABZROADSVRER-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.20
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide (PubChem CID 112788187) has the molecular formula C18H19ClFNO4 and a molecular weight of 367.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide
PubChem CID112788187
Molecular FormulaC18H19ClFNO4
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1c(CO)cc(F)cc1CO)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFNO4/c19-15-3-1-12(2-4-15)5-6-21-17(24)11-25-18-13(9-22)7-16(20)8-14(18)10-23/h1-4,7-8,22-23H,5-6,9-11H2,(H,21,24)
InChIKeyQGABZROADSVRER-UHFFFAOYSA-N
XLogP2.20
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 112788216
N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978044
N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696214
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2709028
N-[2-(4-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2691003
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 55424719
N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide
CID 110678230
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide (CID 112788187) is N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide is O=C(COc1c(CO)cc(F)cc1CO)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide?
The InChIKey is QGABZROADSVRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO4/c19-15-3-1-12(2-4-15)5-6-21-17(24)11-25-18-13(9-22)7-16(20)8-14(18)10-23/h1-4,7-8,22-23H,5-6,9-11H2,(H,21,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide has a molecular weight of 367.80 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 112788187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).