2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide

C13H9F3N2O — CID 63109717

IUPAC2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H9F3N2O/c14-7-1-2-11(12(17)6-7)13(19)18-10-4-8(15)3-9(16)5-10/h1-6H,17H2,(H,18,19)
InChIKeyQLUCUFDNHGIIMH-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.94
Rot. Bonds2

About 2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide

2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide (PubChem CID 63109717) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
PubChem CID63109717
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H9F3N2O/c14-7-1-2-11(12(17)6-7)13(19)18-10-4-8(15)3-9(16)5-10/h1-6H,17H2,(H,18,19)
InChIKeyQLUCUFDNHGIIMH-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.94
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-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
2-amino-4-fluoro-N-thiophen-3-ylbenzamide
CID 66354589
2-amino-N-(4-ethylphenyl)-4-fluorobenzamide
CID 63109707
2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504
2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
CID 82859029
2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
CID 63109637
2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
CID 63109685
2-amino-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836981
2-amino-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 63109763

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide (CID 63109717) is 2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide is Nc1cc(F)ccc1C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide?
The InChIKey is QLUCUFDNHGIIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-7-1-2-11(12(17)6-7)13(19)18-10-4-8(15)3-9(16)5-10/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide?
2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide has a molecular weight of 266.22 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 63109717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).