4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide

C24H18FN3O2 — CID 113021986

IUPAC4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2Oc2ccccc2)nc1)c1ccc(F)cc1
InChIInChI=1S/C24H18FN3O2/c25-18-12-10-17(11-13-18)24(29)27-19-14-15-23(26-16-19)28-21-8-4-5-9-22(21)30-20-6-2-1-3-7-20/h1-16H,(H,26,28)(H,27,29)
InChIKeyUSCIWLMZSVGEIN-UHFFFAOYSA-N
MW399.43 g/mol
LogP6.01
Rot. Bonds6

About 4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide

4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide (PubChem CID 113021986) has the molecular formula C24H18FN3O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is 4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide
PubChem CID113021986
Molecular FormulaC24H18FN3O2
Molecular Weight399.43 g/mol
Exact Mass399.14
IUPAC Name4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2Oc2ccccc2)nc1)c1ccc(F)cc1
InChIInChI=1S/C24H18FN3O2/c25-18-12-10-17(11-13-18)24(29)27-19-14-15-23(26-16-19)28-21-8-4-5-9-22(21)30-20-6-2-1-3-7-20/h1-16H,(H,26,28)(H,27,29)
InChIKeyUSCIWLMZSVGEIN-UHFFFAOYSA-N
XLogP6.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.43
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide
CID 113021208
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113018688
6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151538
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide
CID 113018439
6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109160992
methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163865
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524
4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011864
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163500
N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113036541
N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113037053

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide (CID 113021986) is 4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccccc2Oc2ccccc2)nc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide?
The InChIKey is USCIWLMZSVGEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O2/c25-18-12-10-17(11-13-18)24(29)27-19-14-15-23(26-16-19)28-21-8-4-5-9-22(21)30-20-6-2-1-3-7-20/h1-16H,(H,26,28)(H,27,29).
What are the key properties of 4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide?
4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide has a molecular weight of 399.43 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113021986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).