2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide

C14H20Cl2N2O — CID 54872621

IUPAC2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
SMILESCCCC(C)(N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-5-14(2,17)13(19)18(3)9-10-6-11(15)8-12(16)7-10/h6-8H,4-5,9,17H2,1-3H3
InChIKeyIJEQZGBOORFJAF-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.47
Rot. Bonds5

About 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide

2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide (PubChem CID 54872621) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
PubChem CID54872621
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
SMILESCCCC(C)(N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-5-14(2,17)13(19)18(3)9-10-6-11(15)8-12(16)7-10/h6-8H,4-5,9,17H2,1-3H3
InChIKeyIJEQZGBOORFJAF-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746
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-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60936685
2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
CID 54868960
2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride
CID 119760310
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119682478
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894842
2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride
CID 119822111
2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide
CID 54872585
2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide
CID 60945851
2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide
CID 60945520

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide?
The IUPAC name of 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide (CID 54872621) is 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide?
The canonical SMILES for 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide is CCCC(C)(N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide?
The InChIKey is IJEQZGBOORFJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-4-5-14(2,17)13(19)18(3)9-10-6-11(15)8-12(16)7-10/h6-8H,4-5,9,17H2,1-3H3.
What are the key properties of 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide?
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide has a molecular weight of 303.23 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide is sourced from PubChem (CID 54872621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).