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

C15H15FN2O — CID 62073634

IUPAC2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C15H15FN2O/c1-10-2-4-11(5-3-10)9-18-15(19)13-7-6-12(16)8-14(13)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyUREHDFIDXRYQTF-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.65
Rot. Bonds3

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

2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 62073634) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
PubChem CID62073634
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C15H15FN2O/c1-10-2-4-11(5-3-10)9-18-15(19)13-7-6-12(16)8-14(13)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyUREHDFIDXRYQTF-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-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
2-amino-4-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 63110385
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
2-amino-4-fluoro-N-prop-2-ynylbenzamide
CID 62074165
2-amino-N-(cyanomethyl)-4-fluorobenzamide
CID 63110564
2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide
CID 106899083
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704
2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 81355507
2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
CID 83120721
2-amino-N-(4-ethylphenyl)-4-fluorobenzamide
CID 63109707
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide (CID 62073634) is 2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(F)cc2N)cc1.
What is the InChIKey of 2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is UREHDFIDXRYQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-2-4-11(5-3-10)9-18-15(19)13-7-6-12(16)8-14(13)17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide?
2-amino-4-fluoro-N-[(4-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 2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 62073634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).