N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide

C18H19FN2O3 — CID 86986176

IUPACN-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C(C)Oc2cccc(F)c2)c1
InChIInChI=1S/C18H19FN2O3/c1-11-7-8-15(20-13(3)22)10-17(11)21-18(23)12(2)24-16-6-4-5-14(19)9-16/h4-10,12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyJJSLIVCGFMRBRY-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.50
Rot. Bonds5

About N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide

N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide (PubChem CID 86986176) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
PubChem CID86986176
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C(C)Oc2cccc(F)c2)c1
InChIInChI=1S/C18H19FN2O3/c1-11-7-8-15(20-13(3)22)10-17(11)21-18(23)12(2)24-16-6-4-5-14(19)9-16/h4-10,12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyJJSLIVCGFMRBRY-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834470
(4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate
CID 47024197
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 16784463
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
2-(3-fluorophenoxy)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497915
methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate
CID 87025785
N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
CID 47119298
2-(4-chloro-3-methylphenoxy)-N-(3-fluorophenyl)propanamide
CID 53265982
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide
CID 112781624
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 8873735

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide (CID 86986176) is N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide is CC(=O)Nc1ccc(C)c(NC(=O)C(C)Oc2cccc(F)c2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide?
The InChIKey is JJSLIVCGFMRBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11-7-8-15(20-13(3)22)10-17(11)21-18(23)12(2)24-16-6-4-5-14(19)9-16/h4-10,12H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide?
N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide has a molecular weight of 330.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 86986176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).