N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide

C16H14F3NO2 — CID 110788271

IUPACN-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)NCCc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F3NO2/c17-12-2-1-3-13(9-12)22-10-16(21)20-7-6-11-4-5-14(18)15(19)8-11/h1-5,8-9H,6-7,10H2,(H,20,21)
InChIKeyRPEXUTCVQYBATM-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide

N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide (PubChem CID 110788271) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide
PubChem CID110788271
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC NameN-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)NCCc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F3NO2/c17-12-2-1-3-13(9-12)22-10-16(21)20-7-6-11-4-5-14(18)15(19)8-11/h1-5,8-9H,6-7,10H2,(H,20,21)
InChIKeyRPEXUTCVQYBATM-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-difluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110788270
2-(3-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7935362
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 62032120
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970338
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110718805
2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
CID 35057390
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
2-(3-fluorophenoxy)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718629
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 9008020
N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78812799

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide (CID 110788271) is N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide is O=C(COc1cccc(F)c1)NCCc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is RPEXUTCVQYBATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-12-2-1-3-13(9-12)22-10-16(21)20-7-6-11-4-5-14(18)15(19)8-11/h1-5,8-9H,6-7,10H2,(H,20,21).
What are the key properties of N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide?
N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 309.29 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 110788271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).