(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide

C12H15Cl3N2O — CID 61173513

IUPAC(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O/c1-3-6(2)10(16)12(18)17-11-8(14)4-7(13)5-9(11)15/h4-6,10H,3,16H2,1-2H3,(H,17,18)/t6?,10-/m0/s1
InChIKeyAOCBWXRWFIYTKQ-TYICEKJOSA-N
MW309.62 g/mol
LogP3.96
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide

(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide (PubChem CID 61173513) has the molecular formula C12H15Cl3N2O and a molecular weight of 309.62 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
PubChem CID61173513
Molecular FormulaC12H15Cl3N2O
Molecular Weight309.62 g/mol
Exact Mass308.02
IUPAC Name(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O/c1-3-6(2)10(16)12(18)17-11-8(14)4-7(13)5-9(11)15/h4-6,10H,3,16H2,1-2H3,(H,17,18)/t6?,10-/m0/s1
InChIKeyAOCBWXRWFIYTKQ-TYICEKJOSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide 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

(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
(2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide
CID 114074252
2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(2S,3S)-2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide
CID 61180794
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride
CID 119673993
(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide
CID 22690911
3-methyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]pentanoic acid
CID 61185701
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-chlorobenzoic acid
CID 61158389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide (CID 61173513) is (2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide is CCC(C)[C@H](N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide?
The InChIKey is AOCBWXRWFIYTKQ-TYICEKJOSA-N. The full InChI is InChI=1S/C12H15Cl3N2O/c1-3-6(2)10(16)12(18)17-11-8(14)4-7(13)5-9(11)15/h4-6,10H,3,16H2,1-2H3,(H,17,18)/t6?,10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide?
(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide has a molecular weight of 309.62 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide is sourced from PubChem (CID 61173513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).