N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide

C18H12F3N3O — CID 113021858

IUPACN-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2F)nc1)c1cccc(F)c1
InChIInChI=1S/C18H12F3N3O/c19-12-3-1-2-11(8-12)18(25)23-14-5-7-17(22-10-14)24-16-6-4-13(20)9-15(16)21/h1-10H,(H,22,24)(H,23,25)
InChIKeyCXRVHXYLLJNKNY-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.49
Rot. Bonds4

About N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide

N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide (PubChem CID 113021858) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
PubChem CID113021858
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC NameN-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2F)nc1)c1cccc(F)c1
InChIInChI=1S/C18H12F3N3O/c19-12-3-1-2-11(8-12)18(25)23-14-5-7-17(22-10-14)24-16-6-4-13(20)9-15(16)21/h1-10H,(H,22,24)(H,23,25)
InChIKeyCXRVHXYLLJNKNY-UHFFFAOYSA-N
XLogP4.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021840
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide
CID 113017898
N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide
CID 67126920
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
CID 113009042
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3-fluorobenzamide
CID 113012280
1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021903
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide?
The IUPAC name of N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide (CID 113021858) is N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide is O=C(Nc1ccc(Nc2ccc(F)cc2F)nc1)c1cccc(F)c1.
What is the InChIKey of N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide?
The InChIKey is CXRVHXYLLJNKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O/c19-12-3-1-2-11(8-12)18(25)23-14-5-7-17(22-10-14)24-16-6-4-13(20)9-15(16)21/h1-10H,(H,22,24)(H,23,25).
What are the key properties of N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide?
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide has a molecular weight of 343.31 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 113021858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).