2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide

C14H8F5NO2 — CID 175845387

IUPAC2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide
SMILESNC(=O)Cc1cc(-c2cc(F)c(F)c(F)c2F)c(F)cc1O
InChIInChI=1S/C14H8F5NO2/c15-8-4-10(21)5(2-11(20)22)1-6(8)7-3-9(16)13(18)14(19)12(7)17/h1,3-4,21H,2H2,(H2,20,22)
InChIKeyPHRZAZFBXQKZIC-UHFFFAOYSA-N
MW317.21 g/mol
LogP2.78
Rot. Bonds3

About 2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide

2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide (PubChem CID 175845387) has the molecular formula C14H8F5NO2 and a molecular weight of 317.21 g/mol. Its IUPAC name is 2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide
PubChem CID175845387
Molecular FormulaC14H8F5NO2
Molecular Weight317.21 g/mol
Exact Mass317.05
IUPAC Name2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide
SMILESNC(=O)Cc1cc(-c2cc(F)c(F)c(F)c2F)c(F)cc1O
InChIInChI=1S/C14H8F5NO2/c15-8-4-10(21)5(2-11(20)22)1-6(8)7-3-9(16)13(18)14(19)12(7)17/h1,3-4,21H,2H2,(H2,20,22)
InChIKeyPHRZAZFBXQKZIC-UHFFFAOYSA-N
XLogP2.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)phenyl]acetamide
CID 175845406
1-(2,3,6-trifluoro-5-hydroxyphenyl)propan-2-one
CID 117292301
methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate
CID 69030416
2-(2,3,4,5-tetrafluorophenyl)acetic acid
CID 18625682
2-(2,5-difluorophenyl)acetamide
CID 21245498
2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide
CID 82575289
2-[5-fluoro-2-(2-oxopropyl)phenyl]acetamide
CID 174850108
methyl (3R)-3-amino-3-(2,3,4-trifluoro-6-hydroxyphenyl)propanoate;hydrochloride
CID 171257703
1-(2,3,5,6-tetrafluorophenyl)propan-2-one
CID 117294401
ethyl 2,3,5-trifluoro-6-hydroxybenzoate
CID 131479608
3-(3,4,5-trifluoroanilino)propanamide
CID 62810096
ethane;3,4,5-trifluoro-2-methylphenol
CID 155691590

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide?
The IUPAC name of 2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide (CID 175845387) is 2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide?
The canonical SMILES for 2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide is NC(=O)Cc1cc(-c2cc(F)c(F)c(F)c2F)c(F)cc1O.
What is the InChIKey of 2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide?
The InChIKey is PHRZAZFBXQKZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO2/c15-8-4-10(21)5(2-11(20)22)1-6(8)7-3-9(16)13(18)14(19)12(7)17/h1,3-4,21H,2H2,(H2,20,22).
What are the key properties of 2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide?
2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide has a molecular weight of 317.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide is sourced from PubChem (CID 175845387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).