1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one

C17H16F3NO2 — CID 975228

IUPAC1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
SMILESCOc1ccc(C(=O)CCNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3NO2/c1-23-15-7-5-12(6-8-15)16(22)9-10-21-14-4-2-3-13(11-14)17(18,19)20/h2-8,11,21H,9-10H2,1H3
InChIKeyQBWUZCULWSDCDJ-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.40
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one

1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one (PubChem CID 975228) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
PubChem CID975228
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
SMILESCOc1ccc(C(=O)CCNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3NO2/c1-23-15-7-5-12(6-8-15)16(22)9-10-21-14-4-2-3-13(11-14)17(18,19)20/h2-8,11,21H,9-10H2,1H3
InChIKeyQBWUZCULWSDCDJ-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931
methyl 3-[3-(trifluoromethyl)anilino]propanoate
CID 43365338
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495
N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552526
methyl 3-[[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]amino]benzoate
CID 109040726
1-[2-(4-methoxyphenyl)-2-methylpropyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 113213647
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 970411
1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one
CID 17138754
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 17192578
N-[(4-methoxyphenyl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2281299
4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048972
2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1488181

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one (CID 975228) is 1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one is COc1ccc(C(=O)CCNc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one?
The InChIKey is QBWUZCULWSDCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-23-15-7-5-12(6-8-15)16(22)9-10-21-14-4-2-3-13(11-14)17(18,19)20/h2-8,11,21H,9-10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one?
1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one has a molecular weight of 323.31 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one is sourced from PubChem (CID 975228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).