2,5-dichloro-3-fluorobenzamide

C7H4Cl2FNO — CID 121228309

IUPAC2,5-dichloro-3-fluorobenzamide
SMILESNC(=O)c1cc(Cl)cc(F)c1Cl
InChIInChI=1S/C7H4Cl2FNO/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,(H2,11,12)
InChIKeyHBQZSUDPRSIYLH-UHFFFAOYSA-N
MW208.02 g/mol
LogP2.23
Rot. Bonds1

About 2,5-dichloro-3-fluorobenzamide

2,5-dichloro-3-fluorobenzamide (PubChem CID 121228309) has the molecular formula C7H4Cl2FNO and a molecular weight of 208.02 g/mol. Its IUPAC name is 2,5-dichloro-3-fluorobenzamide.

Molecular Properties

Compound Name2,5-dichloro-3-fluorobenzamide
PubChem CID121228309
Molecular FormulaC7H4Cl2FNO
Molecular Weight208.02 g/mol
Exact Mass206.97
IUPAC Name2,5-dichloro-3-fluorobenzamide
SMILESNC(=O)c1cc(Cl)cc(F)c1Cl
InChIInChI=1S/C7H4Cl2FNO/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,(H2,11,12)
InChIKeyHBQZSUDPRSIYLH-UHFFFAOYSA-N
XLogP2.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.02
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichloro-3-fluorophenyl)-2-oxoacetic acid
CID 117345899
4-chloro-2,6-difluorobenzamide
CID 22478130
3-bromo-2,5-dichlorobenzamide
CID 131599127
1-(2,5-dichloro-3-fluorophenyl)-2,2-dimethylpropan-1-one
CID 146009509
3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride
CID 65367638
1-(2,5-dichloro-3-fluorophenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 146009518
cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone
CID 146009541
4-chloro-5-fluoropyridine-3-carboxamide
CID 99981298
2-(5-amino-2-chloro-3-fluorophenyl)benzamide
CID 145170413
2-fluoro-5-hydroxybenzamide
CID 59402772
methyl 4-(2,5-dichloro-3-fluorophenyl)-4-oxobutanoate
CID 146009527
3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867980

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-fluorobenzamide?
The IUPAC name of 2,5-dichloro-3-fluorobenzamide (CID 121228309) is 2,5-dichloro-3-fluorobenzamide.
What is the SMILES notation for 2,5-dichloro-3-fluorobenzamide?
The canonical SMILES for 2,5-dichloro-3-fluorobenzamide is NC(=O)c1cc(Cl)cc(F)c1Cl.
What is the InChIKey of 2,5-dichloro-3-fluorobenzamide?
The InChIKey is HBQZSUDPRSIYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2FNO/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,(H2,11,12).
What are the key properties of 2,5-dichloro-3-fluorobenzamide?
2,5-dichloro-3-fluorobenzamide has a molecular weight of 208.02 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-fluorobenzamide is sourced from PubChem (CID 121228309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).