N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide

C18H20FNO2 — CID 86902867

IUPACN-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)c2ccccc2F)cc1C
InChIInChI=1S/C18H20FNO2/c1-4-22-17-10-9-14(11-12(17)2)20-18(21)13(3)15-7-5-6-8-16(15)19/h5-11,13H,4H2,1-3H3,(H,20,21)
InChIKeyZUBBCVNHXXUEAU-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.28
Rot. Bonds5

About N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide

N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide (PubChem CID 86902867) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide
PubChem CID86902867
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)c2ccccc2F)cc1C
InChIInChI=1S/C18H20FNO2/c1-4-22-17-10-9-14(11-12(17)2)20-18(21)13(3)15-7-5-6-8-16(15)19/h5-11,13H,4H2,1-3H3,(H,20,21)
InChIKeyZUBBCVNHXXUEAU-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511443
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 107905692
2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide
CID 115188126
3-amino-4-(4-ethoxy-3-methylanilino)-4-oxobutanoic acid
CID 115181227
2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 71939087
(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 94643771
3-amino-N-(4-ethoxy-3-fluorophenyl)-2-methyl-3-sulfanylidenepropanamide
CID 113399765
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
3-[4-[[(2R)-2-(2-fluorophenyl)propanoyl]amino]phenyl]propanoic acid
CID 97234530
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide (CID 86902867) is N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide is CCOc1ccc(NC(=O)C(C)c2ccccc2F)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide?
The InChIKey is ZUBBCVNHXXUEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-4-22-17-10-9-14(11-12(17)2)20-18(21)13(3)15-7-5-6-8-16(15)19/h5-11,13H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide?
N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide has a molecular weight of 301.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide is sourced from PubChem (CID 86902867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).