2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide

C13H8Cl2FNO2 — CID 79039798

IUPAC2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1cccc(F)c1Cl
InChIInChI=1S/C13H8Cl2FNO2/c14-9-6-7(4-5-11(9)18)17-13(19)8-2-1-3-10(16)12(8)15/h1-6,18H,(H,17,19)
InChIKeyIQYFKCLLHYXZGD-UHFFFAOYSA-N
MW300.12 g/mol
LogP4.09
Rot. Bonds2

About 2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide

2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide (PubChem CID 79039798) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide
PubChem CID79039798
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Name2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1cccc(F)c1Cl
InChIInChI=1S/C13H8Cl2FNO2/c14-9-6-7(4-5-11(9)18)17-13(19)8-2-1-3-10(16)12(8)15/h1-6,18H,(H,17,19)
InChIKeyIQYFKCLLHYXZGD-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

N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 81461664
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 64787521
N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660094
2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
CID 114034323

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide (CID 79039798) is 2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide is O=C(Nc1ccc(O)c(Cl)c1)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide?
The InChIKey is IQYFKCLLHYXZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c14-9-6-7(4-5-11(9)18)17-13(19)8-2-1-3-10(16)12(8)15/h1-6,18H,(H,17,19).
What are the key properties of 2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide?
2-chloro-N-(3-chloro-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 2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide is sourced from PubChem (CID 79039798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).