2,3-dichloro-4-fluoro-6-phenylbenzamide

C13H8Cl2FNO — CID 118433439

IUPAC2,3-dichloro-4-fluoro-6-phenylbenzamide
SMILESNC(=O)c1c(-c2ccccc2)cc(F)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl2FNO/c14-11-9(16)6-8(7-4-2-1-3-5-7)10(12(11)15)13(17)18/h1-6H,(H2,17,18)
InChIKeyZKQOMGRSRNNZLQ-UHFFFAOYSA-N
MW284.12 g/mol
LogP3.90
Rot. Bonds2

About 2,3-dichloro-4-fluoro-6-phenylbenzamide

2,3-dichloro-4-fluoro-6-phenylbenzamide (PubChem CID 118433439) has the molecular formula C13H8Cl2FNO and a molecular weight of 284.12 g/mol. Its IUPAC name is 2,3-dichloro-4-fluoro-6-phenylbenzamide.

Molecular Properties

Compound Name2,3-dichloro-4-fluoro-6-phenylbenzamide
PubChem CID118433439
Molecular FormulaC13H8Cl2FNO
Molecular Weight284.12 g/mol
Exact Mass283.00
IUPAC Name2,3-dichloro-4-fluoro-6-phenylbenzamide
SMILESNC(=O)c1c(-c2ccccc2)cc(F)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl2FNO/c14-11-9(16)6-8(7-4-2-1-3-5-7)10(12(11)15)13(17)18/h1-6H,(H2,17,18)
InChIKeyZKQOMGRSRNNZLQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(4-chlorophenyl)-2-methyl-4-phenylpyridine-3-carboxamide
CID 10426313
2-fluoro-5-methyl-4-phenylbenzamide
CID 171905692
2-(5-amino-2-chloro-3-fluorophenyl)benzamide
CID 145170413
1-(2,5-dichlorophenyl)-2-hydroxy-6-oxo-4-phenylpyridine-3-carboxamide
CID 23338684
2-chloro-1-fluoro-3,5-diphenylbenzene
CID 23135570
2-fluoro-6-pyridin-4-ylbenzamide
CID 46315506
3-[4-(5-carbamoyl-2-phenylphenyl)phenyl]-4-phenylbenzamide
CID 141346150
3-hydroxy-6-phenylbenzene-1,2-dicarboxamide
CID 68648251
3-bromo-2,6-dichloro-5-fluorobenzamide
CID 141400879
4-chloro-2,6-difluorobenzamide
CID 22478130
2,5-dichloro-3-fluorobenzamide
CID 121228309
2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene
CID 176875613

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-fluoro-6-phenylbenzamide?
The IUPAC name of 2,3-dichloro-4-fluoro-6-phenylbenzamide (CID 118433439) is 2,3-dichloro-4-fluoro-6-phenylbenzamide.
What is the SMILES notation for 2,3-dichloro-4-fluoro-6-phenylbenzamide?
The canonical SMILES for 2,3-dichloro-4-fluoro-6-phenylbenzamide is NC(=O)c1c(-c2ccccc2)cc(F)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-fluoro-6-phenylbenzamide?
The InChIKey is ZKQOMGRSRNNZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO/c14-11-9(16)6-8(7-4-2-1-3-5-7)10(12(11)15)13(17)18/h1-6H,(H2,17,18).
What are the key properties of 2,3-dichloro-4-fluoro-6-phenylbenzamide?
2,3-dichloro-4-fluoro-6-phenylbenzamide 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 2,3-dichloro-4-fluoro-6-phenylbenzamide is sourced from PubChem (CID 118433439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).