5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide

C14H10F4N2O — CID 107641249

IUPAC5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H10F4N2O/c1-6-2-3-7(19)4-8(6)14(21)20-13-11(17)9(15)5-10(16)12(13)18/h2-5H,19H2,1H3,(H,20,21)
InChIKeyLTPZOCXMWMYVBG-UHFFFAOYSA-N
MW298.24 g/mol
LogP3.39
Rot. Bonds2

About 5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide

5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide (PubChem CID 107641249) has the molecular formula C14H10F4N2O and a molecular weight of 298.24 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide
PubChem CID107641249
Molecular FormulaC14H10F4N2O
Molecular Weight298.24 g/mol
Exact Mass298.07
IUPAC Name5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H10F4N2O/c1-6-2-3-7(19)4-8(6)14(21)20-13-11(17)9(15)5-10(16)12(13)18/h2-5H,19H2,1H3,(H,20,21)
InChIKeyLTPZOCXMWMYVBG-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107641222
5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide
CID 107594566
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
CID 62318012
5-amino-N-carbamoyl-2-methylbenzamide
CID 130015000
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
N-(4-amino-2-methylphenyl)-2,4-difluoro-5-methylbenzamide
CID 115737618
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
5-amino-2-methyl-N-methylsulfonylbenzamide
CID 18957755
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methylbenzamide
CID 82816475
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide
CID 107571074

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The IUPAC name of 5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide (CID 107641249) is 5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The canonical SMILES for 5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide is Cc1ccc(N)cc1C(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The InChIKey is LTPZOCXMWMYVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O/c1-6-2-3-7(19)4-8(6)14(21)20-13-11(17)9(15)5-10(16)12(13)18/h2-5H,19H2,1H3,(H,20,21).
What are the key properties of 5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide?
5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide has a molecular weight of 298.24 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide is sourced from PubChem (CID 107641249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).