N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide

C16H15ClFNO4 — CID 8501524

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(F)cc2)c(OC)cc1Cl
InChIInChI=1S/C16H15ClFNO4/c1-21-14-8-13(15(22-2)7-12(14)17)19-16(20)9-23-11-5-3-10(18)4-6-11/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyWRSWGXVQNVRMQD-UHFFFAOYSA-N
MW339.75 g/mol
LogP3.51
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide (PubChem CID 8501524) has the molecular formula C16H15ClFNO4 and a molecular weight of 339.75 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
PubChem CID8501524
Molecular FormulaC16H15ClFNO4
Molecular Weight339.75 g/mol
Exact Mass339.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(F)cc2)c(OC)cc1Cl
InChIInChI=1S/C16H15ClFNO4/c1-21-14-8-13(15(22-2)7-12(14)17)19-16(20)9-23-11-5-3-10(18)4-6-11/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyWRSWGXVQNVRMQD-UHFFFAOYSA-N
XLogP3.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
CID 86919968
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 1184723
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenoxy)acetamide
CID 7924033
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113001562
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978511
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 1139897
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 9438977
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
CID 1189115
[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 55538734
N-(4-fluoro-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87000961
2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 16602981
2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 40604024

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide (CID 8501524) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide is COc1cc(NC(=O)COc2ccc(F)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is WRSWGXVQNVRMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO4/c1-21-14-8-13(15(22-2)7-12(14)17)19-16(20)9-23-11-5-3-10(18)4-6-11/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 339.75 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 8501524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).