2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride

C14H21Cl3N2O — CID 119682478

IUPAC2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)Cc1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-4-8-14(2,17)13(19)18(3)9-10-6-5-7-11(15)12(10)16;/h5-7H,4,8-9,17H2,1-3H3;1H
InChIKeyKREFPEYSIDTGIJ-UHFFFAOYSA-N
MW339.69 g/mol
LogP3.89
Rot. Bonds5

About 2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride

2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride (PubChem CID 119682478) has the molecular formula C14H21Cl3N2O and a molecular weight of 339.69 g/mol. Its IUPAC name is 2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
PubChem CID119682478
Molecular FormulaC14H21Cl3N2O
Molecular Weight339.69 g/mol
Exact Mass338.07
IUPAC Name2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)Cc1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-4-8-14(2,17)13(19)18(3)9-10-6-5-7-11(15)12(10)16;/h5-7H,4,8-9,17H2,1-3H3;1H
InChIKeyKREFPEYSIDTGIJ-UHFFFAOYSA-N
XLogP3.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.69
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805999
2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119723180
2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 54872621
2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119681313
2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride
CID 119681995
2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805049
2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride
CID 119760310
2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119682743
3-amino-1-(2-chlorophenyl)-3-methylhexan-2-one
CID 116557106
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
CID 103600531

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride (CID 119682478) is 2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride is CCCC(C)(N)C(=O)N(C)Cc1cccc(Cl)c1Cl.Cl.
What is the InChIKey of 2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride?
The InChIKey is KREFPEYSIDTGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O.ClH/c1-4-8-14(2,17)13(19)18(3)9-10-6-5-7-11(15)12(10)16;/h5-7H,4,8-9,17H2,1-3H3;1H.
What are the key properties of 2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride?
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride has a molecular weight of 339.69 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 119682478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).