N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide

C18H19Cl3N2O2 — CID 54816614

IUPACN-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide
SMILESCC(C)COc1ccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl3N2O2/c1-11(2)10-25-13-5-3-12(4-6-13)23-18(24)9-22-17-8-15(20)14(19)7-16(17)21/h3-8,11,22H,9-10H2,1-2H3,(H,23,24)
InChIKeyLREYSPJIWIYHSH-UHFFFAOYSA-N
MW401.72 g/mol
LogP5.73
Rot. Bonds7

About N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide

N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide (PubChem CID 54816614) has the molecular formula C18H19Cl3N2O2 and a molecular weight of 401.72 g/mol. Its IUPAC name is N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide.

Molecular Properties

Compound NameN-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide
PubChem CID54816614
Molecular FormulaC18H19Cl3N2O2
Molecular Weight401.72 g/mol
Exact Mass400.05
IUPAC NameN-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide
SMILESCC(C)COc1ccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl3N2O2/c1-11(2)10-25-13-5-3-12(4-6-13)23-18(24)9-22-17-8-15(20)14(19)7-16(17)21/h3-8,11,22H,9-10H2,1-2H3,(H,23,24)
InChIKeyLREYSPJIWIYHSH-UHFFFAOYSA-N
XLogP5.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816512
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816702
N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820101
N-[4-(2-methylpropoxy)phenyl]-2-(naphthalen-1-ylamino)acetamide
CID 54809414
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
2-chloro-N-cyclohexyl-5-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54833187
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552
N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820375
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816701
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide?
The IUPAC name of N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide (CID 54816614) is N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide.
What is the SMILES notation for N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide?
The canonical SMILES for N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide is CC(C)COc1ccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide?
The InChIKey is LREYSPJIWIYHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3N2O2/c1-11(2)10-25-13-5-3-12(4-6-13)23-18(24)9-22-17-8-15(20)14(19)7-16(17)21/h3-8,11,22H,9-10H2,1-2H3,(H,23,24).
What are the key properties of N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide?
N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide has a molecular weight of 401.72 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide is sourced from PubChem (CID 54816614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).