5-(3,4-dichlorophenyl)-2-fluorobenzamide

C13H8Cl2FNO — CID 134623243

IUPAC5-(3,4-dichlorophenyl)-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ccc1F
InChIInChI=1S/C13H8Cl2FNO/c14-10-3-1-8(6-11(10)15)7-2-4-12(16)9(5-7)13(17)18/h1-6H,(H2,17,18)
InChIKeyZCXXDTHEVGYYII-UHFFFAOYSA-N
MW284.12 g/mol
LogP3.90
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-2-fluorobenzamide

5-(3,4-dichlorophenyl)-2-fluorobenzamide (PubChem CID 134623243) has the molecular formula C13H8Cl2FNO and a molecular weight of 284.12 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-2-fluorobenzamide
PubChem CID134623243
Molecular FormulaC13H8Cl2FNO
Molecular Weight284.12 g/mol
Exact Mass283.00
IUPAC Name5-(3,4-dichlorophenyl)-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ccc1F
InChIInChI=1S/C13H8Cl2FNO/c14-10-3-1-8(6-11(10)15)7-2-4-12(16)9(5-7)13(17)18/h1-6H,(H2,17,18)
InChIKeyZCXXDTHEVGYYII-UHFFFAOYSA-N
XLogP3.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-2-fluorobenzamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-2-fluorobenzamide (CID 134623243) is 5-(3,4-dichlorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-2-fluorobenzamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-2-fluorobenzamide is NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ccc1F.
What is the InChIKey of 5-(3,4-dichlorophenyl)-2-fluorobenzamide?
The InChIKey is ZCXXDTHEVGYYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO/c14-10-3-1-8(6-11(10)15)7-2-4-12(16)9(5-7)13(17)18/h1-6H,(H2,17,18).
What are the key properties of 5-(3,4-dichlorophenyl)-2-fluorobenzamide?
5-(3,4-dichlorophenyl)-2-fluorobenzamide has a molecular weight of 284.12 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 134623243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).