N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide

C15H13Cl3N2O2 — CID 54816701

IUPACN-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESCOc1cccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl3N2O2/c1-22-10-4-2-3-9(5-10)20-15(21)8-19-14-7-12(17)11(16)6-13(14)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyFGXAFRGFRYDLRM-UHFFFAOYSA-N
MW359.64 g/mol
LogP4.71
Rot. Bonds5

About N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide

N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide (PubChem CID 54816701) has the molecular formula C15H13Cl3N2O2 and a molecular weight of 359.64 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
PubChem CID54816701
Molecular FormulaC15H13Cl3N2O2
Molecular Weight359.64 g/mol
Exact Mass358.00
IUPAC NameN-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESCOc1cccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl3N2O2/c1-22-10-4-2-3-9(5-10)20-15(21)8-19-14-7-12(17)11(16)6-13(14)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyFGXAFRGFRYDLRM-UHFFFAOYSA-N
XLogP4.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.64
LogP ≤ 54.71
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
2-(2-chloro-5-methoxyanilino)-N-phenylacetamide
CID 47408313
N-[3-[[2-(2,4,5-trichloroanilino)acetyl]amino]phenyl]butanamide
CID 54816397
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552
N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29046314
N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 28515380
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-(2,6-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 43405262
2-(2,5-difluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 28574559
N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 86910684
2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54829901
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide (CID 54816701) is N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide is COc1cccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
The InChIKey is FGXAFRGFRYDLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O2/c1-22-10-4-2-3-9(5-10)20-15(21)8-19-14-7-12(17)11(16)6-13(14)18/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide has a molecular weight of 359.64 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide is sourced from PubChem (CID 54816701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).