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

C15H15FN2O2 — CID 107168498

IUPAC4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1Oc1ccc(C)c(F)c1
InChIInChI=1S/C15H15FN2O2/c1-9-3-5-11(8-13(9)16)20-14-7-10(17)4-6-12(14)15(19)18-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyWUCLAAPNDYQPCQ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.87
Rot. Bonds3

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

4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide (PubChem CID 107168498) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide
PubChem CID107168498
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1Oc1ccc(C)c(F)c1
InChIInChI=1S/C15H15FN2O2/c1-9-3-5-11(8-13(9)16)20-14-7-10(17)4-6-12(14)15(19)18-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyWUCLAAPNDYQPCQ-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

3-bromo-4-(3-fluoro-4-methylphenoxy)aniline
CID 107168516
1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone
CID 107168510
4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide
CID 102721635
3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide
CID 63357499
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid
CID 107171000
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide
CID 103176833
4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide
CID 115505387
N,2-dimethyl-5-phenoxybenzamide
CID 135275179
methyl 2-[4-(4-amino-2-fluorophenoxy)-2-fluorophenoxy]propanoate
CID 14855595
2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine
CID 107171085

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide?
The IUPAC name of 4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide (CID 107168498) is 4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide?
The canonical SMILES for 4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide is CNC(=O)c1ccc(N)cc1Oc1ccc(C)c(F)c1.
What is the InChIKey of 4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide?
The InChIKey is WUCLAAPNDYQPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-3-5-11(8-13(9)16)20-14-7-10(17)4-6-12(14)15(19)18-2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide?
4-amino-2-(3-fluoro-4-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-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide is sourced from PubChem (CID 107168498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).