2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide

C14H8F5NO3 — CID 175845406

IUPAC2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide
SMILESNC(=O)Cc1cc(-c2c(F)c(O)c(F)c(F)c2F)c(F)cc1O
InChIInChI=1S/C14H8F5NO3/c15-6-3-7(21)4(2-8(20)22)1-5(6)9-10(16)12(18)13(19)14(23)11(9)17/h1,3,21,23H,2H2,(H2,20,22)
InChIKeyDUJLNHLGUYAQIB-UHFFFAOYSA-N
MW333.21 g/mol
LogP2.49
Rot. Bonds3

About 2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide

2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide (PubChem CID 175845406) has the molecular formula C14H8F5NO3 and a molecular weight of 333.21 g/mol. Its IUPAC name is 2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide
PubChem CID175845406
Molecular FormulaC14H8F5NO3
Molecular Weight333.21 g/mol
Exact Mass333.04
IUPAC Name2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide
SMILESNC(=O)Cc1cc(-c2c(F)c(O)c(F)c(F)c2F)c(F)cc1O
InChIInChI=1S/C14H8F5NO3/c15-6-3-7(21)4(2-8(20)22)1-5(6)9-10(16)12(18)13(19)14(23)11(9)17/h1,3,21,23H,2H2,(H2,20,22)
InChIKeyDUJLNHLGUYAQIB-UHFFFAOYSA-N
XLogP2.49
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide
CID 175845387
6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol
CID 175418191
2,3,5,6-tetrafluoro-4-(2,3,5-trifluoro-4-hydroxyphenyl)phenol
CID 22178275
1-(2,3,6-trifluoro-5-hydroxyphenyl)propan-2-one
CID 117292301
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol
CID 2783336
2-(2,5-difluorophenyl)acetamide
CID 21245498
2-[5-fluoro-2-(2-oxopropyl)phenyl]acetamide
CID 174850108
2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol
CID 87916889
4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol
CID 87916814
3,6-difluoro-2-nitro-4-(2,3,4,5,6-pentafluorophenyl)phenol
CID 175575752
2,4,5-trifluorobenzene-1,3-diol
CID 10725692
benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol
CID 158155753

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide?
The IUPAC name of 2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide (CID 175845406) is 2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide?
The canonical SMILES for 2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide is NC(=O)Cc1cc(-c2c(F)c(O)c(F)c(F)c2F)c(F)cc1O.
What is the InChIKey of 2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide?
The InChIKey is DUJLNHLGUYAQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO3/c15-6-3-7(21)4(2-8(20)22)1-5(6)9-10(16)12(18)13(19)14(23)11(9)17/h1,3,21,23H,2H2,(H2,20,22).
What are the key properties of 2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide?
2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide has a molecular weight of 333.21 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-hydroxy-5-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide is sourced from PubChem (CID 175845406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).