3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one

C16H16FNO2 — CID 930491

IUPAC3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCNc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-20-15-8-2-12(3-9-15)16(19)10-11-18-14-6-4-13(17)5-7-14/h2-9,18H,10-11H2,1H3
InChIKeyBNDXUDMQUIZROK-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.52
Rot. Bonds6

About 3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one

3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 930491) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one
PubChem CID930491
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCNc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-20-15-8-2-12(3-9-15)16(19)10-11-18-14-6-4-13(17)5-7-14/h2-9,18H,10-11H2,1H3
InChIKeyBNDXUDMQUIZROK-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one (CID 930491) is 3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)CCNc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is BNDXUDMQUIZROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-20-15-8-2-12(3-9-15)16(19)10-11-18-14-6-4-13(17)5-7-14/h2-9,18H,10-11H2,1H3.
What are the key properties of 3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one?
3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 273.31 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 930491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).