2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide

C21H24FNO3 — CID 110629573

IUPAC2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1cccc(C(O)CN(C)C(=O)C(c2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C21H24FNO3/c1-23(13-19(24)16-4-3-5-18(12-16)26-2)21(25)20(14-6-7-14)15-8-10-17(22)11-9-15/h3-5,8-12,14,19-20,24H,6-7,13H2,1-2H3
InChIKeyDHIJEKYJNJKYML-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.52
Rot. Bonds7

About 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide

2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 110629573) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
PubChem CID110629573
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1cccc(C(O)CN(C)C(=O)C(c2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C21H24FNO3/c1-23(13-19(24)16-4-3-5-18(12-16)26-2)21(25)20(14-6-7-14)15-8-10-17(22)11-9-15/h3-5,8-12,14,19-20,24H,6-7,13H2,1-2H3
InChIKeyDHIJEKYJNJKYML-UHFFFAOYSA-N
XLogP3.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-[methyl(piperidin-4-yl)amino]ethanol
CID 81133297
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291005
2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133808
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110308753
2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 81134882
2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 111381841
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide
CID 110629527
3-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 81134486
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110629551
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 95772319

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide (CID 110629573) is 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide is COc1cccc(C(O)CN(C)C(=O)C(c2ccc(F)cc2)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is DHIJEKYJNJKYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-23(13-19(24)16-4-3-5-18(12-16)26-2)21(25)20(14-6-7-14)15-8-10-17(22)11-9-15/h3-5,8-12,14,19-20,24H,6-7,13H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide?
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 357.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 110629573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).