N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide

C21H17Cl3N2O2 — CID 54816643

IUPACN-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H17Cl3N2O2/c22-15-10-17(24)19(11-16(15)23)25-12-21(27)26-18-8-4-5-9-20(18)28-13-14-6-2-1-3-7-14/h1-11,25H,12-13H2,(H,26,27)
InChIKeyYIHICPPVJOPSNN-UHFFFAOYSA-N
MW435.74 g/mol
LogP6.28
Rot. Bonds7

About N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide

N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide (PubChem CID 54816643) has the molecular formula C21H17Cl3N2O2 and a molecular weight of 435.74 g/mol. Its IUPAC name is N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide.

Molecular Properties

Compound NameN-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
PubChem CID54816643
Molecular FormulaC21H17Cl3N2O2
Molecular Weight435.74 g/mol
Exact Mass434.04
IUPAC NameN-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H17Cl3N2O2/c22-15-10-17(24)19(11-16(15)23)25-12-21(27)26-18-8-4-5-9-20(18)28-13-14-6-2-1-3-7-14/h1-11,25H,12-13H2,(H,26,27)
InChIKeyYIHICPPVJOPSNN-UHFFFAOYSA-N
XLogP6.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.74
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide
CID 54826934
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828582
2-(3-acetamidoanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54831747
2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54825790
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
N-[2-(2-ethoxyethoxy)phenyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827988
2-(2-chlorophenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093502
N-(2,6-dimethylphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827756
2-(ethylamino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54820872
2-(2-phenylmethoxyanilino)-N-propan-2-ylacetamide
CID 54828083
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide
CID 54835482

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
The IUPAC name of N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide (CID 54816643) is N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide.
What is the SMILES notation for N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
The canonical SMILES for N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide is O=C(CNc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1OCc1ccccc1.
What is the InChIKey of N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
The InChIKey is YIHICPPVJOPSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O2/c22-15-10-17(24)19(11-16(15)23)25-12-21(27)26-18-8-4-5-9-20(18)28-13-14-6-2-1-3-7-14/h1-11,25H,12-13H2,(H,26,27).
What are the key properties of N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide has a molecular weight of 435.74 g/mol, XLogP of 6.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide is sourced from PubChem (CID 54816643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).