1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone

C15H15FN2O — CID 82483415

IUPAC1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone
SMILESCc1ccc(C(=O)CNc2cccc(F)c2)cc1N
InChIInChI=1S/C15H15FN2O/c1-10-5-6-11(7-14(10)17)15(19)9-18-13-4-2-3-12(16)8-13/h2-8,18H,9,17H2,1H3
InChIKeyNOHSEFJZQDWNKQ-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.01
Rot. Bonds4

About 1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone

1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone (PubChem CID 82483415) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone
PubChem CID82483415
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone
SMILESCc1ccc(C(=O)CNc2cccc(F)c2)cc1N
InChIInChI=1S/C15H15FN2O/c1-10-5-6-11(7-14(10)17)15(19)9-18-13-4-2-3-12(16)8-13/h2-8,18H,9,17H2,1H3
InChIKeyNOHSEFJZQDWNKQ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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

1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone
CID 96667576
1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone
CID 82122507
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone
CID 82123612
1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone
CID 82482003
2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
CID 102007903
1-(3-amino-4-fluorophenyl)-2-anilinoethanone
CID 82478373
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
(3-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665478
1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one
CID 17138754
1-(3-amino-4-methylphenyl)-3-(2-fluoroanilino)propan-1-one
CID 96668427
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 81366044
2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
CID 82119902

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone (CID 82483415) is 1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone is Cc1ccc(C(=O)CNc2cccc(F)c2)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone?
The InChIKey is NOHSEFJZQDWNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-5-6-11(7-14(10)17)15(19)9-18-13-4-2-3-12(16)8-13/h2-8,18H,9,17H2,1H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone?
1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone has a molecular weight of 258.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone is sourced from PubChem (CID 82483415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).