2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide

C12H15Cl3N2O — CID 79809131

IUPAC2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide
SMILESCCC(N)(CC)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O/c1-3-12(16,4-2)11(18)17-10-6-8(14)7(13)5-9(10)15/h5-6H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyILAXFULLABJMPA-UHFFFAOYSA-N
MW309.62 g/mol
LogP4.10
Rot. Bonds4

About 2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide

2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide (PubChem CID 79809131) has the molecular formula C12H15Cl3N2O and a molecular weight of 309.62 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide
PubChem CID79809131
Molecular FormulaC12H15Cl3N2O
Molecular Weight309.62 g/mol
Exact Mass308.02
IUPAC Name2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide
SMILESCCC(N)(CC)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O/c1-3-12(16,4-2)11(18)17-10-6-8(14)7(13)5-9(10)15/h5-6H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyILAXFULLABJMPA-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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

2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide
CID 60867137
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide
CID 79813771
methyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-chlorobenzoate
CID 79809249
2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226
N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide
CID 22287352
2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
CID 79796935
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 79814263
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-ethylbutanamide
CID 107611725
2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide
CID 79809129
4-[(2-amino-2-ethylbutanoyl)amino]-3-methylbenzoic acid
CID 79810418

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide?
The IUPAC name of 2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide (CID 79809131) is 2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide is CCC(N)(CC)C(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide?
The InChIKey is ILAXFULLABJMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O/c1-3-12(16,4-2)11(18)17-10-6-8(14)7(13)5-9(10)15/h5-6H,3-4,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide?
2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide has a molecular weight of 309.62 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide is sourced from PubChem (CID 79809131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).