3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide

C14H11F3N2O — CID 61076065

IUPAC3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2cccc(F)c2F)cc1F
InChIInChI=1S/C14H11F3N2O/c1-7-10(16)5-8(6-11(7)18)14(20)19-12-4-2-3-9(15)13(12)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyJXAGQOMTGWWFAO-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.25
Rot. Bonds2

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

3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide (PubChem CID 61076065) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
PubChem CID61076065
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2cccc(F)c2F)cc1F
InChIInChI=1S/C14H11F3N2O/c1-7-10(16)5-8(6-11(7)18)14(20)19-12-4-2-3-9(15)13(12)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyJXAGQOMTGWWFAO-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.25
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-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
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-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 116812510
3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60861685
4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide
CID 104782496
4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide
CID 63187147
N-(2,3-difluorophenyl)benzamide
CID 139202270
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide (CID 61076065) is 3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide is Cc1c(N)cc(C(=O)Nc2cccc(F)c2F)cc1F.
What is the InChIKey of 3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide?
The InChIKey is JXAGQOMTGWWFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-7-10(16)5-8(6-11(7)18)14(20)19-12-4-2-3-9(15)13(12)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide?
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide has a molecular weight of 280.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 61076065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).