6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one

C25H21FN2O2 — CID 68867289

IUPAC6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one
SMILESCn1c(Nc2ccccc2)ccc(-c2ccc(OCc3ccccc3)c(F)c2)c1=O
InChIInChI=1S/C25H21FN2O2/c1-28-24(27-20-10-6-3-7-11-20)15-13-21(25(28)29)19-12-14-23(22(26)16-19)30-17-18-8-4-2-5-9-18/h2-16,27H,17H2,1H3
InChIKeyIYKNTDPYSQRMJU-UHFFFAOYSA-N
MW400.45 g/mol
LogP5.51
Rot. Bonds6

About 6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one

6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one (PubChem CID 68867289) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is 6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one
PubChem CID68867289
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC Name6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one
SMILESCn1c(Nc2ccccc2)ccc(-c2ccc(OCc3ccccc3)c(F)c2)c1=O
InChIInChI=1S/C25H21FN2O2/c1-28-24(27-20-10-6-3-7-11-20)15-13-21(25(28)29)19-12-14-23(22(26)16-19)30-17-18-8-4-2-5-9-18/h2-16,27H,17H2,1H3
InChIKeyIYKNTDPYSQRMJU-UHFFFAOYSA-N
XLogP5.51
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
CID 68836321
4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
CID 117478888
3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
CID 68837803
5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117498686
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 122200240
5-(3-fluoro-4-phenylmethoxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 68836654
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
CID 19430958
3-[(2-chlorophenyl)methyl]-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
CID 68840984
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400

Frequently Asked Questions

What is the IUPAC name of 6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one?
The IUPAC name of 6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one (CID 68867289) is 6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one is Cn1c(Nc2ccccc2)ccc(-c2ccc(OCc3ccccc3)c(F)c2)c1=O.
What is the InChIKey of 6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one?
The InChIKey is IYKNTDPYSQRMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2/c1-28-24(27-20-10-6-3-7-11-20)15-13-21(25(28)29)19-12-14-23(22(26)16-19)30-17-18-8-4-2-5-9-18/h2-16,27H,17H2,1H3.
What are the key properties of 6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one?
6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one has a molecular weight of 400.45 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 68867289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).