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

C14H22ClFN2O2 — CID 120563946

IUPAC4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride
SMILESCOC(CNC(=O)CCC(C)N)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-10(16)3-8-14(18)17-9-13(19-2)11-4-6-12(15)7-5-11;/h4-7,10,13H,3,8-9,16H2,1-2H3,(H,17,18);1H
InChIKeyNMLZFJIROYNUFU-UHFFFAOYSA-N
MW304.79 g/mol
LogP2.18
Rot. Bonds7

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

4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride (PubChem CID 120563946) has the molecular formula C14H22ClFN2O2 and a molecular weight of 304.79 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride
PubChem CID120563946
Molecular FormulaC14H22ClFN2O2
Molecular Weight304.79 g/mol
Exact Mass304.14
IUPAC Name4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride
SMILESCOC(CNC(=O)CCC(C)N)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-10(16)3-8-14(18)17-9-13(19-2)11-4-6-12(15)7-5-11;/h4-7,10,13H,3,8-9,16H2,1-2H3,(H,17,18);1H
InChIKeyNMLZFJIROYNUFU-UHFFFAOYSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide
CID 119343022
3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide
CID 120502200
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride
CID 120991420
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide
CID 119817621
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111509469
1-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119343019
4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
3-[[2-(4-fluorophenyl)-2-methoxyethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122004565
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
3-(4-fluorophenyl)-3-methoxypropanamide
CID 69418867

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride (CID 120563946) is 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride is COC(CNC(=O)CCC(C)N)c1ccc(F)cc1.Cl.
What is the InChIKey of 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride?
The InChIKey is NMLZFJIROYNUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2.ClH/c1-10(16)3-8-14(18)17-9-13(19-2)11-4-6-12(15)7-5-11;/h4-7,10,13H,3,8-9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride?
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride has a molecular weight of 304.79 g/mol, XLogP of 2.18, 7 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-methoxyethyl]pentanamide;hydrochloride is sourced from PubChem (CID 120563946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).