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

C15H12Cl4N2O2 — CID 54816552

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESCOc1ccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C15H12Cl4N2O2/c1-23-14-3-2-8(4-12(14)19)21-15(22)7-20-13-6-10(17)9(16)5-11(13)18/h2-6,20H,7H2,1H3,(H,21,22)
InChIKeyKKSHDZXRPHMXLL-UHFFFAOYSA-N
MW394.09 g/mol
LogP5.36
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide (PubChem CID 54816552) has the molecular formula C15H12Cl4N2O2 and a molecular weight of 394.09 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
PubChem CID54816552
Molecular FormulaC15H12Cl4N2O2
Molecular Weight394.09 g/mol
Exact Mass391.97
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESCOc1ccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C15H12Cl4N2O2/c1-23-14-3-2-8(4-12(14)19)21-15(22)7-20-13-6-10(17)9(16)5-11(13)18/h2-6,20H,7H2,1H3,(H,21,22)
InChIKeyKKSHDZXRPHMXLL-UHFFFAOYSA-N
XLogP5.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.09
LogP ≤ 55.36
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-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808
2-(5-chloro-2-methoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 109008877
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816701
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846121
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853
2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109008828
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide (CID 54816552) is N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide is COc1ccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
The InChIKey is KKSHDZXRPHMXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4N2O2/c1-23-14-3-2-8(4-12(14)19)21-15(22)7-20-13-6-10(17)9(16)5-11(13)18/h2-6,20H,7H2,1H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide has a molecular weight of 394.09 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide is sourced from PubChem (CID 54816552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).