4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide

C16H17FN2O2 — CID 114480113

IUPAC4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
SMILESCOc1cc(F)ccc1NCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C16H17FN2O2/c1-10-7-11(16(18)20)3-4-12(10)9-19-14-6-5-13(17)8-15(14)21-2/h3-8,19H,9H2,1-2H3,(H2,18,20)
InChIKeyOBHPVXJGDNYSBJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.85
Rot. Bonds5

About 4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide

4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide (PubChem CID 114480113) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
PubChem CID114480113
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
SMILESCOc1cc(F)ccc1NCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C16H17FN2O2/c1-10-7-11(16(18)20)3-4-12(10)9-19-14-6-5-13(17)8-15(14)21-2/h3-8,19H,9H2,1-2H3,(H2,18,20)
InChIKeyOBHPVXJGDNYSBJ-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide
CID 103866343
4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114479587
5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide
CID 79614297
4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide
CID 114480071
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
CID 43448336
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419053
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide
CID 71967989
4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
CID 114479786
4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954
4-[(4-bromo-2-cyanoanilino)methyl]-3-methylbenzamide
CID 114480636

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide (CID 114480113) is 4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide is COc1cc(F)ccc1NCc1ccc(C(N)=O)cc1C.
What is the InChIKey of 4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide?
The InChIKey is OBHPVXJGDNYSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-7-11(16(18)20)3-4-12(10)9-19-14-6-5-13(17)8-15(14)21-2/h3-8,19H,9H2,1-2H3,(H2,18,20).
What are the key properties of 4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide?
4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide is sourced from PubChem (CID 114480113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).