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

C14H20Cl2N2O — CID 93367571

IUPAC(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-9(2)6-13(17)14(19)18(3)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13H,6,8,17H2,1-3H3/t13-/m1/s1
InChIKeyRSBGCSDQASKESQ-CYBMUJFWSA-N
MW303.23 g/mol
LogP3.33
Rot. Bonds5

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

(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide (PubChem CID 93367571) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
PubChem CID93367571
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-9(2)6-13(17)14(19)18(3)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13H,6,8,17H2,1-3H3/t13-/m1/s1
InChIKeyRSBGCSDQASKESQ-CYBMUJFWSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983504
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide
CID 54869994
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,4-dimethylpentanamide
CID 60938296
2-amino-N,4-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60938303
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
2-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 71756991
2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide
CID 60936758
(2S)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpentanamide;hydrochloride
CID 119690339
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 112792521

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide?
The IUPAC name of (2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide (CID 93367571) is (2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide is CC(C)C[C@@H](N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide?
The InChIKey is RSBGCSDQASKESQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-9(2)6-13(17)14(19)18(3)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13H,6,8,17H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide?
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide has a molecular weight of 303.23 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 93367571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).