1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone

C14H13FN2O — CID 104528314

IUPAC1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cccc(F)c2)cc1N
InChIInChI=1S/C14H13FN2O/c1-9(18)13-6-5-12(8-14(13)16)17-11-4-2-3-10(15)7-11/h2-8,17H,16H2,1H3
InChIKeyDHLMJSTXDMWZOR-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.35
Rot. Bonds3

About 1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone

1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone (PubChem CID 104528314) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone
PubChem CID104528314
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cccc(F)c2)cc1N
InChIInChI=1S/C14H13FN2O/c1-9(18)13-6-5-12(8-14(13)16)17-11-4-2-3-10(15)7-11/h2-8,17H,16H2,1H3
InChIKeyDHLMJSTXDMWZOR-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.35
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-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone
CID 104528342
1-[2-amino-4-(3-ethylanilino)phenyl]ethanone
CID 104528330
1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone
CID 104528323
4-(4-acetyl-3-aminoanilino)benzonitrile
CID 104528321
1-[2-amino-4-(4-bromo-2,5-difluoroanilino)phenyl]ethanone
CID 107609078
1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone
CID 104528246
1-[2-amino-4-[(2,5-difluorophenyl)methylamino]phenyl]ethanone
CID 104528863
1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
3-amino-2-(3-fluoroanilino)benzamide
CID 112577784
1-[2-amino-4-(4-butylanilino)phenyl]ethanone
CID 104528379
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
methyl 4-(3-fluoroanilino)benzoate
CID 67974249

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone (CID 104528314) is 1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone is CC(=O)c1ccc(Nc2cccc(F)c2)cc1N.
What is the InChIKey of 1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone?
The InChIKey is DHLMJSTXDMWZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9(18)13-6-5-12(8-14(13)16)17-11-4-2-3-10(15)7-11/h2-8,17H,16H2,1H3.
What are the key properties of 1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone?
1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone has a molecular weight of 244.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone is sourced from PubChem (CID 104528314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).