2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide

C17H17Cl3N2O2 — CID 54829901

IUPAC2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide
SMILESCC(C)Oc1cccc(NCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl3N2O2/c1-10(2)24-12-5-3-4-11(6-12)21-9-17(23)22-16-8-14(19)13(18)7-15(16)20/h3-8,10,21H,9H2,1-2H3,(H,22,23)
InChIKeyUKNIETGMYVYZIH-UHFFFAOYSA-N
MW387.69 g/mol
LogP5.48
Rot. Bonds6

About 2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide

2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 54829901) has the molecular formula C17H17Cl3N2O2 and a molecular weight of 387.69 g/mol. Its IUPAC name is 2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID54829901
Molecular FormulaC17H17Cl3N2O2
Molecular Weight387.69 g/mol
Exact Mass386.04
IUPAC Name2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide
SMILESCC(C)Oc1cccc(NCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl3N2O2/c1-10(2)24-12-5-3-4-11(6-12)21-9-17(23)22-16-8-14(19)13(18)7-15(16)20/h3-8,10,21H,9H2,1-2H3,(H,22,23)
InChIKeyUKNIETGMYVYZIH-UHFFFAOYSA-N
XLogP5.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.69
LogP ≤ 55.48
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-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830208
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54831443
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54830253
2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54810243
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816701
2-methyl-N-[4-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54830533
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
N-[4-chloro-3-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54830982
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide (CID 54829901) is 2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide is CC(C)Oc1cccc(NCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is UKNIETGMYVYZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N2O2/c1-10(2)24-12-5-3-4-11(6-12)21-9-17(23)22-16-8-14(19)13(18)7-15(16)20/h3-8,10,21H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide?
2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 387.69 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 54829901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).