2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride

C14H20Cl3FN2O — CID 119716790

IUPAC2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)c1c(Cl)ccc(F)c1Cl.Cl
InChIInChI=1S/C14H19Cl2FN2O.ClH/c1-4-7-14(3,18)13(20)19-8(2)11-9(15)5-6-10(17)12(11)16;/h5-6,8H,4,7,18H2,1-3H3,(H,19,20);1H
InChIKeyCLHAUVKXWZZEFL-UHFFFAOYSA-N
MW357.68 g/mol
LogP4.25
Rot. Bonds5

About 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride

2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride (PubChem CID 119716790) has the molecular formula C14H20Cl3FN2O and a molecular weight of 357.68 g/mol. Its IUPAC name is 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
PubChem CID119716790
Molecular FormulaC14H20Cl3FN2O
Molecular Weight357.68 g/mol
Exact Mass356.06
IUPAC Name2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)c1c(Cl)ccc(F)c1Cl.Cl
InChIInChI=1S/C14H19Cl2FN2O.ClH/c1-4-7-14(3,18)13(20)19-8(2)11-9(15)5-6-10(17)12(11)16;/h5-6,8H,4,7,18H2,1-3H3,(H,19,20);1H
InChIKeyCLHAUVKXWZZEFL-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpentanamide
CID 119818781
2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119745685
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide
CID 60847704
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120986789
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide
CID 54928444
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567768
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol
CID 65105547
2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119778527
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
CID 43545181
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-2-methylpentanamide
CID 63008242
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 86813916

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride (CID 119716790) is 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NC(C)c1c(Cl)ccc(F)c1Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride?
The InChIKey is CLHAUVKXWZZEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2FN2O.ClH/c1-4-7-14(3,18)13(20)19-8(2)11-9(15)5-6-10(17)12(11)16;/h5-6,8H,4,7,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride has a molecular weight of 357.68 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119716790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).