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

C14H10Cl2FNO2 — CID 82884561

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1F
InChIInChI=1S/C14H10Cl2FNO2/c1-7-3-2-4-9(12(7)17)14(20)18-8-5-10(15)13(19)11(16)6-8/h2-6,19H,1H3,(H,18,20)
InChIKeyYWSBONYNFBTQBV-UHFFFAOYSA-N
MW314.14 g/mol
LogP4.40
Rot. Bonds2

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

N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide (PubChem CID 82884561) has the molecular formula C14H10Cl2FNO2 and a molecular weight of 314.14 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
PubChem CID82884561
Molecular FormulaC14H10Cl2FNO2
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1F
InChIInChI=1S/C14H10Cl2FNO2/c1-7-3-2-4-9(12(7)17)14(20)18-8-5-10(15)13(19)11(16)6-8/h2-6,19H,1H3,(H,18,20)
InChIKeyYWSBONYNFBTQBV-UHFFFAOYSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 82861951
2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982641
N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 80717854
5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-2-methylbenzamide
CID 82885279
N-(4-chloro-3-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 107271805
N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 80711881
N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide
CID 131939887
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide
CID 82884847
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107575419

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide (CID 82884561) is N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1F.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is YWSBONYNFBTQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO2/c1-7-3-2-4-9(12(7)17)14(20)18-8-5-10(15)13(19)11(16)6-8/h2-6,19H,1H3,(H,18,20).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 314.14 g/mol, XLogP of 4.40, 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)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 82884561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).