2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide

C15H15FN2O2 — CID 114415725

IUPAC2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2)c(F)cc1N
InChIInChI=1S/C15H15FN2O2/c1-10-7-14(12(16)8-13(10)17)20-9-15(19)18-11-5-3-2-4-6-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyNQLWFCRXNPVBQK-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.73
Rot. Bonds4

About 2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide

2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide (PubChem CID 114415725) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide
PubChem CID114415725
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2)c(F)cc1N
InChIInChI=1S/C15H15FN2O2/c1-10-7-14(12(16)8-13(10)17)20-9-15(19)18-11-5-3-2-4-6-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyNQLWFCRXNPVBQK-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.73
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

2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 114415878
2-(4-amino-2,5-difluorophenoxy)-N-(2-methylphenyl)acetamide
CID 63598465
2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide
CID 63598293
2-(2-amino-4,6-dimethylphenoxy)-N-phenylacetamide
CID 62056347
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 107686457
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
2-(4-amino-2,5-difluorophenoxy)-N-(2-chlorophenyl)acetamide
CID 63598292
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-phenylacetamide
CID 107700615
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide?
The IUPAC name of 2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide (CID 114415725) is 2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide.
What is the SMILES notation for 2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide?
The canonical SMILES for 2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide is Cc1cc(OCC(=O)Nc2ccccc2)c(F)cc1N.
What is the InChIKey of 2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide?
The InChIKey is NQLWFCRXNPVBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-7-14(12(16)8-13(10)17)20-9-15(19)18-11-5-3-2-4-6-11/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide?
2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide has a molecular weight of 274.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide is sourced from PubChem (CID 114415725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).