5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide

C16H17FN2O — CID 43510882

IUPAC5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(N)ccc2F)cc1
InChIInChI=1S/C16H17FN2O/c1-11-3-5-12(6-4-11)10-19(2)16(20)14-9-13(18)7-8-15(14)17/h3-9H,10,18H2,1-2H3
InChIKeyDIJJFMVGENXYOJ-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.99
Rot. Bonds3

About 5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide

5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 43510882) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
PubChem CID43510882
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(N)ccc2F)cc1
InChIInChI=1S/C16H17FN2O/c1-11-3-5-12(6-4-11)10-19(2)16(20)14-9-13(18)7-8-15(14)17/h3-9H,10,18H2,1-2H3
InChIKeyDIJJFMVGENXYOJ-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.99
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

5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
5-amino-N-[(4-cyanophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 61105399
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
5-amino-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61114879
2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118647
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61110078
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide
CID 107024225

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide (CID 43510882) is 5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2cc(N)ccc2F)cc1.
What is the InChIKey of 5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is DIJJFMVGENXYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-3-5-12(6-4-11)10-19(2)16(20)14-9-13(18)7-8-15(14)17/h3-9H,10,18H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 272.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 43510882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).