5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide

C12H7Cl2FN2O — CID 113236117

IUPAC5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H7Cl2FN2O/c13-7-1-2-10(15)9(5-7)12(18)17-11-6-8(14)3-4-16-11/h1-6H,(H,16,17,18)
InChIKeyDDWRRQIZMJXAEE-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.78
Rot. Bonds2

About 5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide

5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide (PubChem CID 113236117) has the molecular formula C12H7Cl2FN2O and a molecular weight of 285.11 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
PubChem CID113236117
Molecular FormulaC12H7Cl2FN2O
Molecular Weight285.11 g/mol
Exact Mass283.99
IUPAC Name5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H7Cl2FN2O/c13-7-1-2-10(15)9(5-7)12(18)17-11-6-8(14)3-4-16-11/h1-6H,(H,16,17,18)
InChIKeyDDWRRQIZMJXAEE-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

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Related Compounds

4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
CID 113342708
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-(5-amino-4-methyl-2-pyridinyl)-5-chloro-2-fluorobenzamide
CID 61292772
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 5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide (CID 113236117) is 5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide is O=C(Nc1cc(Cl)ccn1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide?
The InChIKey is DDWRRQIZMJXAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O/c13-7-1-2-10(15)9(5-7)12(18)17-11-6-8(14)3-4-16-11/h1-6H,(H,16,17,18).
What are the key properties of 5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide?
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide 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 5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 113236117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).