3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide

C19H22FNO3 — CID 84595839

IUPAC3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CC(O)c1cccc(F)c1
InChIInChI=1S/C19H22FNO3/c1-13(16-9-4-5-10-18(16)24-3)21(2)19(23)12-17(22)14-7-6-8-15(20)11-14/h4-11,13,17,22H,12H2,1-3H3
InChIKeyJZQXMQOVZWQORL-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.48
Rot. Bonds6

About 3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide

3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide (PubChem CID 84595839) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
PubChem CID84595839
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CC(O)c1cccc(F)c1
InChIInChI=1S/C19H22FNO3/c1-13(16-9-4-5-10-18(16)24-3)21(2)19(23)12-17(22)14-7-6-8-15(20)11-14/h4-11,13,17,22H,12H2,1-3H3
InChIKeyJZQXMQOVZWQORL-UHFFFAOYSA-N
XLogP3.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide
CID 97064404
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605
2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508
(3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11370953
(3R)-3-hydroxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347397
(3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347396
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 81365540
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 166382855

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide (CID 84595839) is 3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide is COc1ccccc1C(C)N(C)C(=O)CC(O)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide?
The InChIKey is JZQXMQOVZWQORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-13(16-9-4-5-10-18(16)24-3)21(2)19(23)12-17(22)14-7-6-8-15(20)11-14/h4-11,13,17,22H,12H2,1-3H3.
What are the key properties of 3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide?
3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide has a molecular weight of 331.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 84595839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).