(2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide

C12H15Cl3N2O — CID 103928303

IUPAC(2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O/c1-12(2,3)10(16)11(18)17-9-5-7(14)6(13)4-8(9)15/h4-5,10H,16H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeyYYKHMXGEQUCSKM-JTQLQIEISA-N
MW309.62 g/mol
LogP3.96
Rot. Bonds2

About (2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide (PubChem CID 103928303) has the molecular formula C12H15Cl3N2O and a molecular weight of 309.62 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide
PubChem CID103928303
Molecular FormulaC12H15Cl3N2O
Molecular Weight309.62 g/mol
Exact Mass308.02
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O/c1-12(2,3)10(16)11(18)17-9-5-7(14)6(13)4-8(9)15/h4-5,10H,16H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeyYYKHMXGEQUCSKM-JTQLQIEISA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethylbutanamide
CID 113445501
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-chlorobenzamide
CID 61154980
2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 70963721
2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
CID 76892391
(2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 103928289
2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide
CID 60638641
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide
CID 103928886
(2R)-2-amino-N-(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-3,3-dimethylbutanamide
CID 103928865
2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717
(2S)-2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbutanamide
CID 104727039

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide (CID 103928303) is (2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide is CC(C)(C)[C@@H](N)C(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide?
The InChIKey is YYKHMXGEQUCSKM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15Cl3N2O/c1-12(2,3)10(16)11(18)17-9-5-7(14)6(13)4-8(9)15/h4-5,10H,16H2,1-3H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide has a molecular weight of 309.62 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide is sourced from PubChem (CID 103928303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).