4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide

C12H6Cl2F2N2O — CID 113342708

IUPAC4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H6Cl2F2N2O/c13-6-1-2-17-11(3-6)18-12(19)7-4-10(16)8(14)5-9(7)15/h1-5H,(H,17,18,19)
InChIKeyCJQNTASWXOESGO-UHFFFAOYSA-N
MW303.10 g/mol
LogP3.92
Rot. Bonds2

About 4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide

4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide (PubChem CID 113342708) has the molecular formula C12H6Cl2F2N2O and a molecular weight of 303.10 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
PubChem CID113342708
Molecular FormulaC12H6Cl2F2N2O
Molecular Weight303.10 g/mol
Exact Mass301.98
IUPAC Name4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H6Cl2F2N2O/c13-6-1-2-17-11(3-6)18-12(19)7-4-10(16)8(14)5-9(7)15/h1-5H,(H,17,18,19)
InChIKeyCJQNTASWXOESGO-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 53.92
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

5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107358819
2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
CID 113456910
2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide
CID 114052160
3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103707248
2-amino-N-(4-chloro-2-pyridinyl)benzamide
CID 103950182
4-chloro-N-(4-chloro-2-pyridinyl)-2-nitrobenzamide
CID 115626712
N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681910
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 115876919
N-(4-chloro-2-pyridinyl)-2-hydroxy-4-methylbenzamide
CID 115883719

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide?
The IUPAC name of 4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide (CID 113342708) is 4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide?
The canonical SMILES for 4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide is O=C(Nc1cc(Cl)ccn1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide?
The InChIKey is CJQNTASWXOESGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F2N2O/c13-6-1-2-17-11(3-6)18-12(19)7-4-10(16)8(14)5-9(7)15/h1-5H,(H,17,18,19).
What are the key properties of 4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide?
4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide has a molecular weight of 303.10 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide is sourced from PubChem (CID 113342708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).