3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide

C14H12F2N2O — CID 60862351

IUPAC3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2ccccc2F)cc1F
InChIInChI=1S/C14H12F2N2O/c1-8-11(16)6-9(7-12(8)17)14(19)18-13-5-3-2-4-10(13)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyOWMRAXTVSYTIPF-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.11
Rot. Bonds2

About 3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide

3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide (PubChem CID 60862351) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
PubChem CID60862351
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2ccccc2F)cc1F
InChIInChI=1S/C14H12F2N2O/c1-8-11(16)6-9(7-12(8)17)14(19)18-13-5-3-2-4-10(13)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyOWMRAXTVSYTIPF-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.11
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

3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065
3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117051
3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 60861854
3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide
CID 79769032
3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 60861029
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528
2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid
CID 170549186
3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
CID 60861695
3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 116812510
3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60861685

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide (CID 60862351) is 3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide is Cc1c(N)cc(C(=O)Nc2ccccc2F)cc1F.
What is the InChIKey of 3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide?
The InChIKey is OWMRAXTVSYTIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-8-11(16)6-9(7-12(8)17)14(19)18-13-5-3-2-4-10(13)15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide?
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide has a molecular weight of 262.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide is sourced from PubChem (CID 60862351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).