3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide

C17H19FN2O — CID 60862352

IUPAC3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cc(N)c(C)c(F)c2)c(C)c1
InChIInChI=1S/C17H19FN2O/c1-9-5-10(2)16(11(3)6-9)20-17(21)13-7-14(18)12(4)15(19)8-13/h5-8H,19H2,1-4H3,(H,20,21)
InChIKeyVOJZLSNYRVMSHI-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.89
Rot. Bonds2

About 3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide

3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 60862352) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID60862352
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cc(N)c(C)c(F)c2)c(C)c1
InChIInChI=1S/C17H19FN2O/c1-9-5-10(2)16(11(3)6-9)20-17(21)13-7-14(18)12(4)15(19)8-13/h5-8H,19H2,1-4H3,(H,20,21)
InChIKeyVOJZLSNYRVMSHI-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.89
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-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
CID 60861695
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 60861863
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 60862529
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 107699249
3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 113433366
3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 107608760
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065
3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950307
3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117051

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide (CID 60862352) is 3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2cc(N)c(C)c(F)c2)c(C)c1.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is VOJZLSNYRVMSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-9-5-10(2)16(11(3)6-9)20-17(21)13-7-14(18)12(4)15(19)8-13/h5-8H,19H2,1-4H3,(H,20,21).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide?
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 286.35 g/mol, XLogP of 3.89, 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-4-methyl-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 60862352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).