1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one

C15H15FN2O — CID 58459342

IUPAC1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(Nc2cc(F)ccc2N)c1
InChIInChI=1S/C15H15FN2O/c1-2-15(19)10-4-3-5-12(8-10)18-14-9-11(16)6-7-13(14)17/h3-9,18H,2,17H2,1H3
InChIKeyHPIUVZRELSTDPA-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.74
Rot. Bonds4

About 1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one

1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one (PubChem CID 58459342) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one
PubChem CID58459342
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(Nc2cc(F)ccc2N)c1
InChIInChI=1S/C15H15FN2O/c1-2-15(19)10-4-3-5-12(8-10)18-14-9-11(16)6-7-13(14)17/h3-9,18H,2,17H2,1H3
InChIKeyHPIUVZRELSTDPA-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 62377477
methyl 3-[4-amino-3-(3-bromoanilino)phenyl]-3-oxopropanoate
CID 88990913
3-(2-amino-5-fluoroanilino)benzonitrile
CID 55067681
ethyl 3-(2-aminoanilino)benzoate
CID 59419795
3-[(2-amino-5-fluoroanilino)methyl]benzamide
CID 123298867
4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine
CID 62376460
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
4-amino-N-ethyl-3-(3-methylsulfanylanilino)benzamide
CID 63360686
ethyl 4-amino-3-(2,5-difluoroanilino)benzoate
CID 82776005
2-N-(4-butylphenyl)-4-fluorobenzene-1,2-diamine
CID 63403132
4-amino-3-(3,5-difluoroanilino)-N-ethylbenzamide
CID 63361087
1-[3-[[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547532

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one?
The IUPAC name of 1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one (CID 58459342) is 1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one?
The canonical SMILES for 1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one is CCC(=O)c1cccc(Nc2cc(F)ccc2N)c1.
What is the InChIKey of 1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one?
The InChIKey is HPIUVZRELSTDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-2-15(19)10-4-3-5-12(8-10)18-14-9-11(16)6-7-13(14)17/h3-9,18H,2,17H2,1H3.
What are the key properties of 1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one?
1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one has a molecular weight of 258.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one is sourced from PubChem (CID 58459342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).