N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide

C16H17FN2O2 — CID 16786087

IUPACN-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-10-9-13(18)5-8-15(10)19-16(20)11(2)21-14-6-3-12(17)4-7-14/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyIMHNWPYOYLZZRR-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.12
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide

N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 16786087) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID16786087
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-10-9-13(18)5-8-15(10)19-16(20)11(2)21-14-6-3-12(17)4-7-14/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyIMHNWPYOYLZZRR-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.12
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

(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7751068
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 16786831
N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 16790293
(2R)-2-(4-fluorophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 51642379
N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 21173898
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 7961263
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
(2S)-2-(4-fluorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 26074940

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide (CID 16786087) is N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide is Cc1cc(N)ccc1NC(=O)C(C)Oc1ccc(F)cc1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is IMHNWPYOYLZZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-9-13(18)5-8-15(10)19-16(20)11(2)21-14-6-3-12(17)4-7-14/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide?
N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 288.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 16786087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).