2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide

C17H10Cl2FN3O2 — CID 99822385

IUPAC2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-n2ccc(=O)cc2)nc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H10Cl2FN3O2/c18-13-8-14(19)15(20)7-12(13)17(25)22-10-1-2-16(21-9-10)23-5-3-11(24)4-6-23/h1-9H,(H,22,25)
InChIKeyLQPJPQITRVGZNF-UHFFFAOYSA-N
MW378.19 g/mol
LogP3.93
Rot. Bonds3

About 2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide

2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide (PubChem CID 99822385) has the molecular formula C17H10Cl2FN3O2 and a molecular weight of 378.19 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide
PubChem CID99822385
Molecular FormulaC17H10Cl2FN3O2
Molecular Weight378.19 g/mol
Exact Mass377.01
IUPAC Name2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-n2ccc(=O)cc2)nc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H10Cl2FN3O2/c18-13-8-14(19)15(20)7-12(13)17(25)22-10-1-2-16(21-9-10)23-5-3-11(24)4-6-23/h1-9H,(H,22,25)
InChIKeyLQPJPQITRVGZNF-UHFFFAOYSA-N
XLogP3.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide
CID 99840080
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide
CID 17394617
2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116203
2-chloro-N-(6-imidazol-1-yl-3-pyridinyl)furan-3-carboxamide
CID 106685994
2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
CID 52701753
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
5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide (CID 99822385) is 2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide is O=C(Nc1ccc(-n2ccc(=O)cc2)nc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide?
The InChIKey is LQPJPQITRVGZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FN3O2/c18-13-8-14(19)15(20)7-12(13)17(25)22-10-1-2-16(21-9-10)23-5-3-11(24)4-6-23/h1-9H,(H,22,25).
What are the key properties of 2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide?
2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide has a molecular weight of 378.19 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 99822385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).