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

C14H11ClFNO2 — CID 106861638

IUPAC2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(O)c(F)c2)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c1-8-2-4-10(11(15)6-8)14(19)17-9-3-5-13(18)12(16)7-9/h2-7,18H,1H3,(H,17,19)
InChIKeyIYQKDWVSYSIZCG-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.75
Rot. Bonds2

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

2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide (PubChem CID 106861638) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
PubChem CID106861638
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(O)c(F)c2)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c1-8-2-4-10(11(15)6-8)14(19)17-9-3-5-13(18)12(16)7-9/h2-7,18H,1H3,(H,17,19)
InChIKeyIYQKDWVSYSIZCG-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.75
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-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 64780308
N-(4-chloro-3-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 60795096
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
2-fluoro-4-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 103867339
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
N-(4-chloro-3-hydroxyphenyl)-2,4-dimethylbenzamide
CID 64788271
N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide
CID 106860388
2-chloro-N-(4-cyanophenyl)-4-methylbenzamide
CID 885545
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-5-methylbenzamide
CID 43381005

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide (CID 106861638) is 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(O)c(F)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide?
The InChIKey is IYQKDWVSYSIZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-8-2-4-10(11(15)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-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide?
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide has a molecular weight of 279.70 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide is sourced from PubChem (CID 106861638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).