1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone

C17H18FNO — CID 13448896

IUPAC1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone
SMILESCC(C)N(CC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H18FNO/c1-13(2)19(16-6-4-3-5-7-16)12-17(20)14-8-10-15(18)11-9-14/h3-11,13H,12H2,1-2H3
InChIKeyZGLVBYZCXLSAPH-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.92
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone

1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone (PubChem CID 13448896) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone
PubChem CID13448896
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone
SMILESCC(C)N(CC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H18FNO/c1-13(2)19(16-6-4-3-5-7-16)12-17(20)14-8-10-15(18)11-9-14/h3-11,13H,12H2,1-2H3
InChIKeyZGLVBYZCXLSAPH-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone (CID 13448896) is 1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone is CC(C)N(CC(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone?
The InChIKey is ZGLVBYZCXLSAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-13(2)19(16-6-4-3-5-7-16)12-17(20)14-8-10-15(18)11-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone?
1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone has a molecular weight of 271.34 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(N-propan-2-ylanilino)ethanone is sourced from PubChem (CID 13448896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).