1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone

C15H14FNO2 — CID 82536619

IUPAC1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone
SMILESCOc1ccc(Nc2ccccc2C(C)=O)c(F)c1
InChIInChI=1S/C15H14FNO2/c1-10(18)12-5-3-4-6-14(12)17-15-8-7-11(19-2)9-13(15)16/h3-9,17H,1-2H3
InChIKeyHFWKFJHFEOCLTG-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone

1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone (PubChem CID 82536619) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone
PubChem CID82536619
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone
SMILESCOc1ccc(Nc2ccccc2C(C)=O)c(F)c1
InChIInChI=1S/C15H14FNO2/c1-10(18)12-5-3-4-6-14(12)17-15-8-7-11(19-2)9-13(15)16/h3-9,17H,1-2H3
InChIKeyHFWKFJHFEOCLTG-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
N-(2-fluoro-4-methoxyphenyl)naphthalen-2-amine
CID 82536277
(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8749582
3-(2-fluoro-4-methoxyanilino)phenol
CID 82537335
2-(2-chloroanilino)-5-methoxybenzoate
CID 7098725
methyl 2-(2-fluoro-4-methoxyanilino)acetate
CID 82539689
methyl 2-(2-fluoro-4-methoxyanilino)propanoate
CID 82539504
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986757
1-(2-acetylphenyl)-3-(4-methoxyphenyl)thiourea
CID 4848252
methyl 5-amino-2-(2-fluoroanilino)benzoate
CID 61306024

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone?
The IUPAC name of 1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone (CID 82536619) is 1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone?
The canonical SMILES for 1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone is COc1ccc(Nc2ccccc2C(C)=O)c(F)c1.
What is the InChIKey of 1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone?
The InChIKey is HFWKFJHFEOCLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10(18)12-5-3-4-6-14(12)17-15-8-7-11(19-2)9-13(15)16/h3-9,17H,1-2H3.
What are the key properties of 1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone?
1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone has a molecular weight of 259.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone is sourced from PubChem (CID 82536619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).