3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide

C13H17Cl3N2O — CID 65264588

IUPAC3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl3N2O/c1-12(2,13(3,4)17)11(19)18-10-8(15)5-7(14)6-9(10)16/h5-6H,17H2,1-4H3,(H,18,19)
InChIKeyLDWXTVPSHVIMSY-UHFFFAOYSA-N
MW323.65 g/mol
LogP4.35
Rot. Bonds3

About 3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide

3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide (PubChem CID 65264588) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide
PubChem CID65264588
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC Name3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl3N2O/c1-12(2,13(3,4)17)11(19)18-10-8(15)5-7(14)6-9(10)16/h5-6H,17H2,1-4H3,(H,18,19)
InChIKeyLDWXTVPSHVIMSY-UHFFFAOYSA-N
XLogP4.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide 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

3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
CID 63679954
3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672117
2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid
CID 104643883
3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide
CID 65264581
2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672617
3-amino-N-(2-chloro-4-fluorophenyl)-2,2,3-trimethylbutanamide
CID 65264639
3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide
CID 114052264
3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide
CID 114259751
3-amino-N-(3-chloro-4-cyanophenyl)-2,2,3-trimethylbutanamide
CID 65264787
methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-chlorobenzoate
CID 65264248
3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 55122374
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide
CID 2748510

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide (CID 65264588) is 3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide is CC(C)(N)C(C)(C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide?
The InChIKey is LDWXTVPSHVIMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl3N2O/c1-12(2,13(3,4)17)11(19)18-10-8(15)5-7(14)6-9(10)16/h5-6H,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide?
3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide has a molecular weight of 323.65 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide is sourced from PubChem (CID 65264588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).