2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride

C14H22ClFN2O2 — CID 119719440

IUPAC2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(O)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-3-9(2)13(16)14(19)17-8-12(18)10-4-6-11(15)7-5-10;/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19);1H
InChIKeyBWTRJSJCVGISEM-UHFFFAOYSA-N
MW304.79 g/mol
LogP1.77
Rot. Bonds6

About 2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride

2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride (PubChem CID 119719440) has the molecular formula C14H22ClFN2O2 and a molecular weight of 304.79 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
PubChem CID119719440
Molecular FormulaC14H22ClFN2O2
Molecular Weight304.79 g/mol
Exact Mass304.14
IUPAC Name2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(O)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-3-9(2)13(16)14(19)17-8-12(18)10-4-6-11(15)7-5-10;/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19);1H
InChIKeyBWTRJSJCVGISEM-UHFFFAOYSA-N
XLogP1.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
CID 119792652
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide
CID 119817621
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
CID 81489680
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide
CID 87016886
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride
CID 119775927
(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762
(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride (CID 119719440) is 2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCC(O)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride?
The InChIKey is BWTRJSJCVGISEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2.ClH/c1-3-9(2)13(16)14(19)17-8-12(18)10-4-6-11(15)7-5-10;/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19);1H.
What are the key properties of 2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride has a molecular weight of 304.79 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119719440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).