2-amino-4-fluoro-N-(4-fluorophenyl)benzamide

C13H10F2N2O — CID 62059687

IUPAC2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
SMILESNc1cc(F)ccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H10F2N2O/c14-8-1-4-10(5-2-8)17-13(18)11-6-3-9(15)7-12(11)16/h1-7H,16H2,(H,17,18)
InChIKeyPXGBCWGCDIHLIJ-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.80
Rot. Bonds2

About 2-amino-4-fluoro-N-(4-fluorophenyl)benzamide

2-amino-4-fluoro-N-(4-fluorophenyl)benzamide (PubChem CID 62059687) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
PubChem CID62059687
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
SMILESNc1cc(F)ccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H10F2N2O/c14-8-1-4-10(5-2-8)17-13(18)11-6-3-9(15)7-12(11)16/h1-7H,16H2,(H,17,18)
InChIKeyPXGBCWGCDIHLIJ-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
CID 63109717
2-amino-N-(4-ethylphenyl)-4-fluorobenzamide
CID 63109707
2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
CID 63109637
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-amino-4-fluoro-N-thiophen-3-ylbenzamide
CID 66354589
2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
2-amino-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 63109763
2-amino-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836981
2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(4-fluorophenyl)benzamide (CID 62059687) is 2-amino-4-fluoro-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(4-fluorophenyl)benzamide is Nc1cc(F)ccc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-amino-4-fluoro-N-(4-fluorophenyl)benzamide?
The InChIKey is PXGBCWGCDIHLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c14-8-1-4-10(5-2-8)17-13(18)11-6-3-9(15)7-12(11)16/h1-7H,16H2,(H,17,18).
What are the key properties of 2-amino-4-fluoro-N-(4-fluorophenyl)benzamide?
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide has a molecular weight of 248.23 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 62059687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).