2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide

C15H20Cl2N2O2 — CID 78771053

IUPAC2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(=O)NC(C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C15H20Cl2N2O2/c1-9(2)14(18-10(3)20)15(21)19(4)8-11-5-6-12(16)13(17)7-11/h5-7,9,14H,8H2,1-4H3,(H,18,20)
InChIKeySCGCZOFVJYVPBT-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.11
Rot. Bonds5

About 2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide

2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 78771053) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
PubChem CID78771053
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(=O)NC(C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C15H20Cl2N2O2/c1-9(2)14(18-10(3)20)15(21)19(4)8-11-5-6-12(16)13(17)7-11/h5-7,9,14H,8H2,1-4H3,(H,18,20)
InChIKeySCGCZOFVJYVPBT-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 18114298
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N,3-dimethylbutanamide
CID 78800990
2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide
CID 18116972
2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide
CID 134054757
(2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide
CID 51481363
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 112792521
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 55123171
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide (CID 78771053) is 2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide is CC(=O)NC(C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C(C)C.
What is the InChIKey of 2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is SCGCZOFVJYVPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-9(2)14(18-10(3)20)15(21)19(4)8-11-5-6-12(16)13(17)7-11/h5-7,9,14H,8H2,1-4H3,(H,18,20).
What are the key properties of 2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide?
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 331.24 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 78771053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).