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

C16H16FNO2 — CID 116555441

IUPAC1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)CNc2ccccc2)c1F
InChIInChI=1S/C16H16FNO2/c1-20-15-9-5-6-12(16(15)17)10-14(19)11-18-13-7-3-2-4-8-13/h2-9,18H,10-11H2,1H3
InChIKeyOJPVCCYIKLMPIE-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.06
Rot. Bonds6

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

1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one (PubChem CID 116555441) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one
PubChem CID116555441
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)CNc2ccccc2)c1F
InChIInChI=1S/C16H16FNO2/c1-20-15-9-5-6-12(16(15)17)10-14(19)11-18-13-7-3-2-4-8-13/h2-9,18H,10-11H2,1H3
InChIKeyOJPVCCYIKLMPIE-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-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 116555445
4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide
CID 104791467
5-amino-1-(2-fluoro-3-methoxyphenyl)-5-methylhexan-2-one
CID 116571457
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411
4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one
CID 116555997
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793415
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one (CID 116555441) is 1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)CNc2ccccc2)c1F.
What is the InChIKey of 1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
The InChIKey is OJPVCCYIKLMPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-20-15-9-5-6-12(16(15)17)10-14(19)11-18-13-7-3-2-4-8-13/h2-9,18H,10-11H2,1H3.
What are the key properties of 1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
1-anilino-3-(2-fluoro-3-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-(2-fluoro-3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 116555441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).