1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one

C16H16FNO2 — CID 116555256

IUPAC1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)CNc2ccccc2)cc1F
InChIInChI=1S/C16H16FNO2/c1-20-16-8-7-12(10-15(16)17)9-14(19)11-18-13-5-3-2-4-6-13/h2-8,10,18H,9,11H2,1H3
InChIKeyUKSOUXVXVVFLIH-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.06
Rot. Bonds6

About 1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one

1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one (PubChem CID 116555256) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one
PubChem CID116555256
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)CNc2ccccc2)cc1F
InChIInChI=1S/C16H16FNO2/c1-20-16-8-7-12(10-15(16)17)9-14(19)11-18-13-5-3-2-4-6-13/h2-8,10,18H,9,11H2,1H3
InChIKeyUKSOUXVXVVFLIH-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-(propylamino)propan-2-one
CID 116562712
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 116557505
1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 116555445
1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62829143
1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66052472
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
1-(3-fluoro-4-methoxyphenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446280
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64671122

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
The IUPAC name of 1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one (CID 116555256) is 1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one is COc1ccc(CC(=O)CNc2ccccc2)cc1F.
What is the InChIKey of 1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
The InChIKey is UKSOUXVXVVFLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-20-16-8-7-12(10-15(16)17)9-14(19)11-18-13-5-3-2-4-6-13/h2-8,10,18H,9,11H2,1H3.
What are the key properties of 1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one has a molecular weight of 273.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 116555256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).