N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide

C16H15ClFNO3 — CID 33064342

IUPACN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C16H15ClFNO3/c1-21-10-16(20)19-13-5-6-15(14(17)8-13)22-9-11-3-2-4-12(18)7-11/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyWRKXMLKMLAVNID-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.64
Rot. Bonds6

About N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide (PubChem CID 33064342) has the molecular formula C16H15ClFNO3 and a molecular weight of 323.75 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
PubChem CID33064342
Molecular FormulaC16H15ClFNO3
Molecular Weight323.75 g/mol
Exact Mass323.07
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C16H15ClFNO3/c1-21-10-16(20)19-13-5-6-15(14(17)8-13)22-9-11-3-2-4-12(18)7-11/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyWRKXMLKMLAVNID-UHFFFAOYSA-N
XLogP3.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide
CID 72704750
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590459
3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide
CID 33065215
N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide
CID 22137941
methyl 5-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4-[(2-methoxyacetyl)amino]-5-oxopentanoate
CID 11570783
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126126042
N-(3-acetamidophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17172943
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide
CID 167449564
2-(3-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131926451
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide
CID 33064509
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide (CID 33064342) is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide?
The InChIKey is WRKXMLKMLAVNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3/c1-21-10-16(20)19-13-5-6-15(14(17)8-13)22-9-11-3-2-4-12(18)7-11/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide?
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide has a molecular weight of 323.75 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 33064342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).