4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride

C17H28ClFN2O2 — CID 120562857

IUPAC4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride
SMILESCC(C)CN(CC(O)c1ccc(F)cc1)C(=O)CCC(C)N.Cl
InChIInChI=1S/C17H27FN2O2.ClH/c1-12(2)10-20(17(22)9-4-13(3)19)11-16(21)14-5-7-15(18)8-6-14;/h5-8,12-13,16,21H,4,9-11,19H2,1-3H3;1H
InChIKeyJXTVMESLPLIPGB-UHFFFAOYSA-N
MW346.87 g/mol
LogP2.89
Rot. Bonds8

About 4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride

4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride (PubChem CID 120562857) has the molecular formula C17H28ClFN2O2 and a molecular weight of 346.87 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride
PubChem CID120562857
Molecular FormulaC17H28ClFN2O2
Molecular Weight346.87 g/mol
Exact Mass346.18
IUPAC Name4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride
SMILESCC(C)CN(CC(O)c1ccc(F)cc1)C(=O)CCC(C)N.Cl
InChIInChI=1S/C17H27FN2O2.ClH/c1-12(2)10-20(17(22)9-4-13(3)19)11-16(21)14-5-7-15(18)8-6-14;/h5-8,12-13,16,21H,4,9-11,19H2,1-3H3;1H
InChIKeyJXTVMESLPLIPGB-UHFFFAOYSA-N
XLogP2.89
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.87
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide
CID 120610892
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 97082451
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide
CID 111462207
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide
CID 71968911
3-ethyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 138995809
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide
CID 82852194
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride
CID 120563946
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111107929
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 95772319
4-cyano-N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 97226208
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-(2-methylpropyl)urea
CID 95772315

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride (CID 120562857) is 4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride is CC(C)CN(CC(O)c1ccc(F)cc1)C(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride?
The InChIKey is JXTVMESLPLIPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O2.ClH/c1-12(2)10-20(17(22)9-4-13(3)19)11-16(21)14-5-7-15(18)8-6-14;/h5-8,12-13,16,21H,4,9-11,19H2,1-3H3;1H.
What are the key properties of 4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride?
4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride has a molecular weight of 346.87 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride is sourced from PubChem (CID 120562857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).