2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide

C13H18Cl2N2O — CID 79805049

IUPAC2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
SMILESCCC(C)(N)C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-4-13(2,16)12(18)17(3)8-9-5-6-10(14)7-11(9)15/h5-7H,4,8,16H2,1-3H3
InChIKeyKXFZZOPAJBLYOC-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.08
Rot. Bonds4

About 2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide

2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide (PubChem CID 79805049) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
PubChem CID79805049
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
SMILESCCC(C)(N)C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-4-13(2,16)12(18)17(3)8-9-5-6-10(14)7-11(9)15/h5-7H,4,8,16H2,1-3H3
InChIKeyKXFZZOPAJBLYOC-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 62847986
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805999
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732013
N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide
CID 178067840
2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
CID 79804817
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60939480
3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide
CID 81086606
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119682478
N-[(5-chloro-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178864
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide (CID 79805049) is 2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide is CCC(C)(N)C(=O)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide?
The InChIKey is KXFZZOPAJBLYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-4-13(2,16)12(18)17(3)8-9-5-6-10(14)7-11(9)15/h5-7H,4,8,16H2,1-3H3.
What are the key properties of 2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide?
2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide has a molecular weight of 289.21 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 79805049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).