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

C15H15FN2O — CID 60904088

IUPAC5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H15FN2O/c1-10-4-2-3-5-11(10)9-18-15(19)13-8-12(17)6-7-14(13)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyGKFJRHQYAQBORE-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.65
Rot. Bonds3

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

5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 60904088) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
PubChem CID60904088
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H15FN2O/c1-10-4-2-3-5-11(10)9-18-15(19)13-8-12(17)6-7-14(13)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyGKFJRHQYAQBORE-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.65
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

2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954363
4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
CID 64680864
N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
CID 62514243
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide
CID 61292490
3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide
CID 63186090
N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82814854
4-chloro-2-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 54941047
5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide
CID 107183203
5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61138112

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide (CID 60904088) is 5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide is Cc1ccccc1CNC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is GKFJRHQYAQBORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-4-2-3-5-11(10)9-18-15(19)13-8-12(17)6-7-14(13)16/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide?
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 258.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 60904088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).