2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide

C14H11F2NO2 — CID 64780308

IUPAC2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccc(O)c(F)c2)c1
InChIInChI=1S/C14H11F2NO2/c1-8-2-4-11(15)10(6-8)14(19)17-9-3-5-13(18)12(16)7-9/h2-7,18H,1H3,(H,17,19)
InChIKeyCBLMRCYBJYTZNQ-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.23
Rot. Bonds2

About 2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide

2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide (PubChem CID 64780308) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
PubChem CID64780308
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccc(O)c(F)c2)c1
InChIInChI=1S/C14H11F2NO2/c1-8-2-4-11(15)10(6-8)14(19)17-9-3-5-13(18)12(16)7-9/h2-7,18H,1H3,(H,17,19)
InChIKeyCBLMRCYBJYTZNQ-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
CID 106861638
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
2-fluoro-4-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 103867339
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-5-methylbenzamide
CID 43381005
N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809
2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
CID 62512688
N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide
CID 62513164
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 62510659
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 63999813

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide (CID 64780308) is 2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2ccc(O)c(F)c2)c1.
What is the InChIKey of 2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide?
The InChIKey is CBLMRCYBJYTZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-8-2-4-11(15)10(6-8)14(19)17-9-3-5-13(18)12(16)7-9/h2-7,18H,1H3,(H,17,19).
What are the key properties of 2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide?
2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide has a molecular weight of 263.24 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide is sourced from PubChem (CID 64780308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).