2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride

C14H21Cl3N2O — CID 119683628

IUPAC2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-4-9(2)13(17)14(19)18(3)8-10-5-6-11(15)12(16)7-10;/h5-7,9,13H,4,8,17H2,1-3H3;1H
InChIKeyGYQZWSKPONMSFE-UHFFFAOYSA-N
MW339.69 g/mol
LogP3.75
Rot. Bonds5

About 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride

2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride (PubChem CID 119683628) has the molecular formula C14H21Cl3N2O and a molecular weight of 339.69 g/mol. Its IUPAC name is 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
PubChem CID119683628
Molecular FormulaC14H21Cl3N2O
Molecular Weight339.69 g/mol
Exact Mass338.07
IUPAC Name2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-4-9(2)13(17)14(19)18(3)8-10-5-6-11(15)12(16)7-10;/h5-7,9,13H,4,8,17H2,1-3H3;1H
InChIKeyGYQZWSKPONMSFE-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983504
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide
CID 60938179
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 112792521
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119683610
(2S,3S)-2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 61259824
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride (CID 119683628) is 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride is CCC(C)C(N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride?
The InChIKey is GYQZWSKPONMSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O.ClH/c1-4-9(2)13(17)14(19)18(3)8-10-5-6-11(15)12(16)7-10;/h5-7,9,13H,4,8,17H2,1-3H3;1H.
What are the key properties of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride?
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride has a molecular weight of 339.69 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 119683628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).