N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide

C18H11F4N3O — CID 67126920

IUPACN-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(Nc2cc(F)ccc2F)nc1)c1c(F)cccc1F
InChIInChI=1S/C18H11F4N3O/c19-10-4-6-12(20)15(8-10)25-16-7-5-11(9-23-16)24-18(26)17-13(21)2-1-3-14(17)22/h1-9H,(H,23,25)(H,24,26)
InChIKeyHDJBSPUNXMNXRW-UHFFFAOYSA-N
MW361.30 g/mol
LogP4.63
Rot. Bonds4

About N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide

N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide (PubChem CID 67126920) has the molecular formula C18H11F4N3O and a molecular weight of 361.30 g/mol. Its IUPAC name is N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide
PubChem CID67126920
Molecular FormulaC18H11F4N3O
Molecular Weight361.30 g/mol
Exact Mass361.08
IUPAC NameN-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(Nc2cc(F)ccc2F)nc1)c1c(F)cccc1F
InChIInChI=1S/C18H11F4N3O/c19-10-4-6-12(20)15(8-10)25-16-7-5-11(9-23-16)24-18(26)17-13(21)2-1-3-14(17)22/h1-9H,(H,23,25)(H,24,26)
InChIKeyHDJBSPUNXMNXRW-UHFFFAOYSA-N
XLogP4.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021858
N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide
CID 58486951
N-[6-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021840
2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017839
2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide
CID 113022787
N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113022429
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
4-[(2,6-difluorobenzoyl)amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 24864079
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide
CID 113017898
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487
N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109164774

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide (CID 67126920) is N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide is O=C(Nc1ccc(Nc2cc(F)ccc2F)nc1)c1c(F)cccc1F.
What is the InChIKey of N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is HDJBSPUNXMNXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O/c19-10-4-6-12(20)15(8-10)25-16-7-5-11(9-23-16)24-18(26)17-13(21)2-1-3-14(17)22/h1-9H,(H,23,25)(H,24,26).
What are the key properties of N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide?
N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 361.30 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 67126920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).