3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide

C16H16F2N2O — CID 79759533

IUPAC3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CN(C)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C16H16F2N2O/c1-10-5-3-4-6-11(10)9-20(2)16(21)14-12(17)7-8-13(19)15(14)18/h3-8H,9,19H2,1-2H3
InChIKeyDZQSGDNCFSVZLZ-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.13
Rot. Bonds3

About 3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide

3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 79759533) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
PubChem CID79759533
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CN(C)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C16H16F2N2O/c1-10-5-3-4-6-11(10)9-20(2)16(21)14-12(17)7-8-13(19)15(14)18/h3-8H,9,19H2,1-2H3
InChIKeyDZQSGDNCFSVZLZ-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62661751
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79772944
3-amino-N-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094457
methyl 2-[(3-amino-2,6-difluorobenzoyl)-methylamino]acetate
CID 79773010
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114558373
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094456
3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide
CID 79773242

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide (CID 79759533) is 3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide is Cc1ccccc1CN(C)C(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is DZQSGDNCFSVZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10-5-3-4-6-11(10)9-20(2)16(21)14-12(17)7-8-13(19)15(14)18/h3-8H,9,19H2,1-2H3.
What are the key properties of 3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 290.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 79759533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).