N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide

C13H8Cl2FNO2 — CID 82885015

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C13H8Cl2FNO2/c14-10-5-9(6-11(15)12(10)18)17-13(19)7-2-1-3-8(16)4-7/h1-6,18H,(H,17,19)
InChIKeyXPIGFMJDMXWABV-UHFFFAOYSA-N
MW300.12 g/mol
LogP4.09
Rot. Bonds2

About N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide

N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide (PubChem CID 82885015) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
PubChem CID82885015
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C13H8Cl2FNO2/c14-10-5-9(6-11(15)12(10)18)17-13(19)7-2-1-3-8(16)4-7/h1-6,18H,(H,17,19)
InChIKeyXPIGFMJDMXWABV-UHFFFAOYSA-N
XLogP4.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 54.09
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

3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide
CID 82881371
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide
CID 16776319
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
CID 82884561
3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837703
N-(3-chloro-5-fluorophenyl)-3-hydroxybenzamide
CID 107366818
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-fluorobenzamide
CID 3341571
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide (CID 82885015) is N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(F)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide?
The InChIKey is XPIGFMJDMXWABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c14-10-5-9(6-11(15)12(10)18)17-13(19)7-2-1-3-8(16)4-7/h1-6,18H,(H,17,19).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide?
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide has a molecular weight of 300.12 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide is sourced from PubChem (CID 82885015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).