2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide

C12H7Cl2FN2O — CID 27700283

IUPAC2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2FN2O/c13-9-6-10(14)11(15)5-8(9)12(18)17-7-1-3-16-4-2-7/h1-6H,(H,16,17,18)
InChIKeyFZAUYFPFACEDHB-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.78
Rot. Bonds2

About 2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide

2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide (PubChem CID 27700283) has the molecular formula C12H7Cl2FN2O and a molecular weight of 285.11 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
PubChem CID27700283
Molecular FormulaC12H7Cl2FN2O
Molecular Weight285.11 g/mol
Exact Mass283.99
IUPAC Name2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2FN2O/c13-9-6-10(14)11(15)5-8(9)12(18)17-7-1-3-16-4-2-7/h1-6H,(H,16,17,18)
InChIKeyFZAUYFPFACEDHB-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide
CID 75390644
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
CID 51330118
N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-fluorobenzamide
CID 9191596
2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 47049176
2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide
CID 17394617
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403
2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116203
2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
CID 27669089
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide (CID 27700283) is 2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide?
The InChIKey is FZAUYFPFACEDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O/c13-9-6-10(14)11(15)5-8(9)12(18)17-7-1-3-16-4-2-7/h1-6H,(H,16,17,18).
What are the key properties of 2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide?
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide has a molecular weight of 285.11 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 27700283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).