3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide

C19H22FNO2 — CID 111437226

IUPAC3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide
SMILESCc1ccccc1C(O)CNC(=O)C(C)Cc1ccccc1F
InChIInChI=1S/C19H22FNO2/c1-13-7-3-5-9-16(13)18(22)12-21-19(23)14(2)11-15-8-4-6-10-17(15)20/h3-10,14,18,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyGNYZUVPNYPECGG-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.16
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide

3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide (PubChem CID 111437226) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide
PubChem CID111437226
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide
SMILESCc1ccccc1C(O)CNC(=O)C(C)Cc1ccccc1F
InChIInChI=1S/C19H22FNO2/c1-13-7-3-5-9-16(13)18(22)12-21-19(23)14(2)11-15-8-4-6-10-17(15)20/h3-10,14,18,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyGNYZUVPNYPECGG-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119522
(2R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-2-methyl-3-methylsulfanylpropanamide
CID 96530841
2-benzyl-3-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119234004
3-(3-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 109478347
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
(2S)-2-amino-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119324131
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111119324
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75876666
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298783

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide (CID 111437226) is 3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide is Cc1ccccc1C(O)CNC(=O)C(C)Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide?
The InChIKey is GNYZUVPNYPECGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-13-7-3-5-9-16(13)18(22)12-21-19(23)14(2)11-15-8-4-6-10-17(15)20/h3-10,14,18,22H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide?
3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide has a molecular weight of 315.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 111437226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).