2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide

C13H7Cl3FNO — CID 690469

IUPAC2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3FNO/c14-7-1-3-10(15)9(5-7)13(19)18-8-2-4-12(17)11(16)6-8/h1-6H,(H,18,19)
InChIKeyLIPYXAQCPZUGRO-UHFFFAOYSA-N
MW318.56 g/mol
LogP5.04
Rot. Bonds2

About 2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide

2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide (PubChem CID 690469) has the molecular formula C13H7Cl3FNO and a molecular weight of 318.56 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
PubChem CID690469
Molecular FormulaC13H7Cl3FNO
Molecular Weight318.56 g/mol
Exact Mass316.96
IUPAC Name2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3FNO/c14-7-1-3-10(15)9(5-7)13(19)18-8-2-4-12(17)11(16)6-8/h1-6H,(H,18,19)
InChIKeyLIPYXAQCPZUGRO-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.56
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
N-(4-bromo-3-chlorophenyl)-5-chloro-2-fluorobenzamide
CID 107619744
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
CID 107020863
N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602066
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766208

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide (CID 690469) is 2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide?
The InChIKey is LIPYXAQCPZUGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO/c14-7-1-3-10(15)9(5-7)13(19)18-8-2-4-12(17)11(16)6-8/h1-6H,(H,18,19).
What are the key properties of 2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide?
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide has a molecular weight of 318.56 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 690469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).