4-[(2-fluoro-5-methylphenyl)methylamino]benzamide

C15H15FN2O — CID 103830288

IUPAC4-[(2-fluoro-5-methylphenyl)methylamino]benzamide
SMILESCc1ccc(F)c(CNc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C15H15FN2O/c1-10-2-7-14(16)12(8-10)9-18-13-5-3-11(4-6-13)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyQJJULKYOASJMRT-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.85
Rot. Bonds4

About 4-[(2-fluoro-5-methylphenyl)methylamino]benzamide

4-[(2-fluoro-5-methylphenyl)methylamino]benzamide (PubChem CID 103830288) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-[(2-fluoro-5-methylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(2-fluoro-5-methylphenyl)methylamino]benzamide
PubChem CID103830288
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-[(2-fluoro-5-methylphenyl)methylamino]benzamide
SMILESCc1ccc(F)c(CNc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C15H15FN2O/c1-10-2-7-14(16)12(8-10)9-18-13-5-3-11(4-6-13)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyQJJULKYOASJMRT-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
CID 62810109
4-[(4-bromo-2-fluorophenyl)methylamino]benzamide
CID 43242985
3-[(2,6-dimethylanilino)methyl]-4-fluorobenzamide
CID 62331910
4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
CID 28576301
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053885
1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone
CID 83313035
4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62474919
methyl 4-[(2,5-difluorophenyl)methylamino]benzoate
CID 43312807
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
4-[(3-fluoro-5-methylanilino)methyl]benzamide
CID 79054394

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-5-methylphenyl)methylamino]benzamide?
The IUPAC name of 4-[(2-fluoro-5-methylphenyl)methylamino]benzamide (CID 103830288) is 4-[(2-fluoro-5-methylphenyl)methylamino]benzamide.
What is the SMILES notation for 4-[(2-fluoro-5-methylphenyl)methylamino]benzamide?
The canonical SMILES for 4-[(2-fluoro-5-methylphenyl)methylamino]benzamide is Cc1ccc(F)c(CNc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[(2-fluoro-5-methylphenyl)methylamino]benzamide?
The InChIKey is QJJULKYOASJMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-2-7-14(16)12(8-10)9-18-13-5-3-11(4-6-13)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19).
What are the key properties of 4-[(2-fluoro-5-methylphenyl)methylamino]benzamide?
4-[(2-fluoro-5-methylphenyl)methylamino]benzamide has a molecular weight of 258.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-5-methylphenyl)methylamino]benzamide is sourced from PubChem (CID 103830288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).