(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide

C18H21FN2O2 — CID 94643771

IUPAC(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
SMILESCCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2C)cc1F
InChIInChI=1S/C18H21FN2O2/c1-4-23-17-10-9-14(11-15(17)19)20-13(3)18(22)21-16-8-6-5-7-12(16)2/h5-11,13,20H,4H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyQQQZKTPHVVTRLY-CYBMUJFWSA-N
MW316.38 g/mol
LogP3.97
Rot. Bonds6

About (2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide

(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide (PubChem CID 94643771) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
PubChem CID94643771
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
SMILESCCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2C)cc1F
InChIInChI=1S/C18H21FN2O2/c1-4-23-17-10-9-14(11-15(17)19)20-13(3)18(22)21-16-8-6-5-7-12(16)2/h5-11,13,20H,4H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyQQQZKTPHVVTRLY-CYBMUJFWSA-N
XLogP3.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 71939087
2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
CID 113399730
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 110900389
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide
CID 51167745
(2S)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-(2-ethoxyphenyl)propanamide
CID 37304550
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide
CID 110900380
2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 47018355

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide (CID 94643771) is (2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide is CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2C)cc1F.
What is the InChIKey of (2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is QQQZKTPHVVTRLY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-4-23-17-10-9-14(11-15(17)19)20-13(3)18(22)21-16-8-6-5-7-12(16)2/h5-11,13,20H,4H2,1-3H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide?
(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 316.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 94643771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).