1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone

C14H12F2N2O — CID 104612267

IUPAC1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone
SMILESCC(=O)c1cc(Nc2cc(F)ccc2F)ccc1N
InChIInChI=1S/C14H12F2N2O/c1-8(19)11-7-10(3-5-13(11)17)18-14-6-9(15)2-4-12(14)16/h2-7,18H,17H2,1H3
InChIKeyMCHNZFHGRBCTMY-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.49
Rot. Bonds3

About 1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone

1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone (PubChem CID 104612267) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone
PubChem CID104612267
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone
SMILESCC(=O)c1cc(Nc2cc(F)ccc2F)ccc1N
InChIInChI=1S/C14H12F2N2O/c1-8(19)11-7-10(3-5-13(11)17)18-14-6-9(15)2-4-12(14)16/h2-7,18H,17H2,1H3
InChIKeyMCHNZFHGRBCTMY-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

2-amino-5-(2,5-difluoroanilino)benzoic acid
CID 55021325
1-[2-amino-5-(5-fluoro-2-methylanilino)phenyl]ethanone
CID 104612298
1-[2-amino-5-(4-fluoro-3-methylanilino)phenyl]ethanone
CID 104612747
1-[2-amino-5-(3-chloro-4-fluoroanilino)phenyl]ethanone
CID 104612312
2-amino-5-(2-fluoro-5-methylanilino)benzamide
CID 61307828
2-amino-5-(5-bromo-2-fluoroanilino)benzoic acid
CID 55024972
2-amino-5-(2-bromo-5-fluoroanilino)benzamide
CID 107637874
1-[2-amino-4-(4-bromo-2,5-difluoroanilino)phenyl]ethanone
CID 107609078
2-(3-acetyl-4-aminoanilino)-4-chlorobenzonitrile
CID 104612895
1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone
CID 104612316
2-amino-5-(4-fluoroanilino)benzoic acid
CID 54887987
1-[2-amino-5-(2-bromo-6-chloro-4-fluoroanilino)phenyl]ethanone
CID 107609156

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone (CID 104612267) is 1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone is CC(=O)c1cc(Nc2cc(F)ccc2F)ccc1N.
What is the InChIKey of 1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone?
The InChIKey is MCHNZFHGRBCTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-8(19)11-7-10(3-5-13(11)17)18-14-6-9(15)2-4-12(14)16/h2-7,18H,17H2,1H3.
What are the key properties of 1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone?
1-[2-amino-5-(2,5-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-5-(2,5-difluoroanilino)phenyl]ethanone is sourced from PubChem (CID 104612267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).