1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone

C14H12F2N2O — CID 104528342

IUPAC1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2c(F)cccc2F)cc1N
InChIInChI=1S/C14H12F2N2O/c1-8(19)10-6-5-9(7-13(10)17)18-14-11(15)3-2-4-12(14)16/h2-7,18H,17H2,1H3
InChIKeyDFIVFVLOFOHPDY-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.49
Rot. Bonds3

About 1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone

1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone (PubChem CID 104528342) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone
PubChem CID104528342
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2c(F)cccc2F)cc1N
InChIInChI=1S/C14H12F2N2O/c1-8(19)10-6-5-9(7-13(10)17)18-14-11(15)3-2-4-12(14)16/h2-7,18H,17H2,1H3
InChIKeyDFIVFVLOFOHPDY-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.49
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-(3-fluoroanilino)phenyl]ethanone
CID 104528314
1-[2-amino-4-(4-bromo-2,5-difluoroanilino)phenyl]ethanone
CID 107609078
1-[2-amino-4-(3-ethylanilino)phenyl]ethanone
CID 104528330
1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone
CID 104528323
2-amino-4-(2,6-dimethylanilino)benzoic acid
CID 104500168
1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
4-(4-acetyl-3-aminoanilino)benzonitrile
CID 104528321
1-[2-amino-4-(quinolin-8-ylamino)phenyl]ethanone
CID 104528278
1-[2-amino-4-[(2,5-difluorophenyl)methylamino]phenyl]ethanone
CID 104528863
1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone
CID 104528246
1-N-(2-chloro-6-fluorophenyl)-4-(3-methylpent-1-en-2-yl)benzene-1,3-diamine
CID 155712168
3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 115125585

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone (CID 104528342) is 1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone is CC(=O)c1ccc(Nc2c(F)cccc2F)cc1N.
What is the InChIKey of 1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone?
The InChIKey is DFIVFVLOFOHPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-8(19)10-6-5-9(7-13(10)17)18-14-11(15)3-2-4-12(14)16/h2-7,18H,17H2,1H3.
What are the key properties of 1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone?
1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone has a molecular weight of 262.26 g/mol, XLogP of 3.49, 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-(2,6-difluoroanilino)phenyl]ethanone is sourced from PubChem (CID 104528342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).