5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide

C15H13F3N2O — CID 62809031

IUPAC5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C15H13F3N2O/c1-8-3-4-13(19-2)9(5-8)15(21)20-14-7-11(17)10(16)6-12(14)18/h3-7,19H,1-2H3,(H,20,21)
InChIKeyPWVZPYKOUJURST-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.71
Rot. Bonds3

About 5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide

5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide (PubChem CID 62809031) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
PubChem CID62809031
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C15H13F3N2O/c1-8-3-4-13(19-2)9(5-8)15(21)20-14-7-11(17)10(16)6-12(14)18/h3-7,19H,1-2H3,(H,20,21)
InChIKeyPWVZPYKOUJURST-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62511235
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154
N-(3-fluoro-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 79046553
N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide
CID 107616577
N-(2-bromo-4,6-difluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62510189
3-fluoro-N-(2-fluoro-4-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105383951
N-(2-fluoro-4-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 28881726
N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 62509130
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62808855
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide?
The IUPAC name of 5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide (CID 62809031) is 5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide is CNc1ccc(C)cc1C(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of 5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide?
The InChIKey is PWVZPYKOUJURST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-8-3-4-13(19-2)9(5-8)15(21)20-14-7-11(17)10(16)6-12(14)18/h3-7,19H,1-2H3,(H,20,21).
What are the key properties of 5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide?
5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide has a molecular weight of 294.28 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 62809031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).