1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one

C19H22FNO — CID 17138754

IUPAC1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one
SMILESCC(C)(C)c1ccc(C(=O)CCNc2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO/c1-19(2,3)15-9-7-14(8-10-15)18(22)11-12-21-17-6-4-5-16(20)13-17/h4-10,13,21H,11-12H2,1-3H3
InChIKeyQNWIHHRRPDVJPT-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.81
Rot. Bonds5

About 1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one

1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one (PubChem CID 17138754) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one
PubChem CID17138754
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one
SMILESCC(C)(C)c1ccc(C(=O)CCNc2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO/c1-19(2,3)15-9-7-14(8-10-15)18(22)11-12-21-17-6-4-5-16(20)13-17/h4-10,13,21H,11-12H2,1-3H3
InChIKeyQNWIHHRRPDVJPT-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
1-(1,3-benzodioxol-5-yl)-3-(3-fluoroanilino)propan-1-one
CID 5298907
1-(4-tert-butylphenyl)-3-(4-chloroanilino)propan-1-one
CID 5299877
1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874691
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)-3-(3-fluoroanilino)propan-1-one
CID 5302265
1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
CID 975228
3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
CID 4051768
1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one
CID 94283002
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
CID 102007903
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide
CID 110425753

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one (CID 17138754) is 1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one is CC(C)(C)c1ccc(C(=O)CCNc2cccc(F)c2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one?
The InChIKey is QNWIHHRRPDVJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-19(2,3)15-9-7-14(8-10-15)18(22)11-12-21-17-6-4-5-16(20)13-17/h4-10,13,21H,11-12H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one?
1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one has a molecular weight of 299.39 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one is sourced from PubChem (CID 17138754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).