4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide

C15H15FN2O2 — CID 64855361

IUPAC4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Oc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15FN2O2/c1-9-3-5-11(16)13(7-9)20-14-8-10(15(19)18-2)4-6-12(14)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyYZWBNTTWVYPFFX-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.87
Rot. Bonds3

About 4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide

4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide (PubChem CID 64855361) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide
PubChem CID64855361
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Oc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15FN2O2/c1-9-3-5-11(16)13(7-9)20-14-8-10(15(19)18-2)4-6-12(14)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyYZWBNTTWVYPFFX-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(2-chloro-4-methylphenoxy)-N-methylbenzamide
CID 63357199
4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide
CID 63357499
4-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062
3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide
CID 83000096
4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide
CID 107722490
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide
CID 107711871
4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide
CID 81342274
4-amino-3-(2-chloro-4-methylphenoxy)benzoic acid
CID 82795757
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 66276494

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide (CID 64855361) is 4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide is CNC(=O)c1ccc(N)c(Oc2cc(C)ccc2F)c1.
What is the InChIKey of 4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide?
The InChIKey is YZWBNTTWVYPFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-3-5-11(16)13(7-9)20-14-8-10(15(19)18-2)4-6-12(14)17/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide?
4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide is sourced from PubChem (CID 64855361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).