N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide

C18H12Cl2FN3O — CID 113022429

IUPACN-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2Cl)nc1)c1ccccc1F
InChIInChI=1S/C18H12Cl2FN3O/c19-13-5-3-7-15(17(13)20)24-16-9-8-11(10-22-16)23-18(25)12-4-1-2-6-14(12)21/h1-10H,(H,22,24)(H,23,25)
InChIKeyUBFWHURYGODJIA-UHFFFAOYSA-N
MW376.22 g/mol
LogP5.52
Rot. Bonds4

About N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide

N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide (PubChem CID 113022429) has the molecular formula C18H12Cl2FN3O and a molecular weight of 376.22 g/mol. Its IUPAC name is N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
PubChem CID113022429
Molecular FormulaC18H12Cl2FN3O
Molecular Weight376.22 g/mol
Exact Mass375.03
IUPAC NameN-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2Cl)nc1)c1ccccc1F
InChIInChI=1S/C18H12Cl2FN3O/c19-13-5-3-7-15(17(13)20)24-16-9-8-11(10-22-16)23-18(25)12-4-1-2-6-14(12)21/h1-10H,(H,22,24)(H,23,25)
InChIKeyUBFWHURYGODJIA-UHFFFAOYSA-N
XLogP5.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.22
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
CID 113023141
2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
CID 113020153
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903
5-(2,3-dichloroanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292522
N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide
CID 113022413
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487
4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide
CID 113018439
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113019042
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563
N-[5-(2,3-dichloroanilino)-2-pyridinyl]-2-methoxybenzamide
CID 113036860

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide (CID 113022429) is N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide is O=C(Nc1ccc(Nc2cccc(Cl)c2Cl)nc1)c1ccccc1F.
What is the InChIKey of N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is UBFWHURYGODJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O/c19-13-5-3-7-15(17(13)20)24-16-9-8-11(10-22-16)23-18(25)12-4-1-2-6-14(12)21/h1-10H,(H,22,24)(H,23,25).
What are the key properties of N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide?
N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 376.22 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 113022429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).