N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide

C20H23FN2O2 — CID 71999869

IUPACN-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN(CC(O)c2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C20H23FN2O2/c1-14(24)22-18-4-2-3-15(11-18)12-23(19-9-10-19)13-20(25)16-5-7-17(21)8-6-16/h2-8,11,19-20,25H,9-10,12-13H2,1H3,(H,22,24)
InChIKeyWQWYUZZIFDGETI-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.48
Rot. Bonds7

About N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide

N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide (PubChem CID 71999869) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide
PubChem CID71999869
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN(CC(O)c2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C20H23FN2O2/c1-14(24)22-18-4-2-3-15(11-18)12-23(19-9-10-19)13-20(25)16-5-7-17(21)8-6-16/h2-8,11,19-20,25H,9-10,12-13H2,1H3,(H,22,24)
InChIKeyWQWYUZZIFDGETI-UHFFFAOYSA-N
XLogP3.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide
CID 110921357
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol
CID 110885670
N-cyclopentyl-2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 111432084
N-(3-chlorophenyl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 8872555
N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 56814248
2-[(2-chloro-3-pyridinyl)methyl-cyclopropylamino]-1-(4-fluorophenyl)ethanol
CID 111462262
2-[(3-chloro-4-pyridinyl)methyl-cyclopropylamino]-1-(4-fluorophenyl)ethanol
CID 111565163
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 111462226
3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide
CID 8906749
N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide
CID 23963683
2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol
CID 71999867
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 111432073

Frequently Asked Questions

What is the IUPAC name of N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide (CID 71999869) is N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CN(CC(O)c2ccc(F)cc2)C2CC2)c1.
What is the InChIKey of N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide?
The InChIKey is WQWYUZZIFDGETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14(24)22-18-4-2-3-15(11-18)12-23(19-9-10-19)13-20(25)16-5-7-17(21)8-6-16/h2-8,11,19-20,25H,9-10,12-13H2,1H3,(H,22,24).
What are the key properties of N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide?
N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 71999869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).