2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide

C16H13Cl3N2O2 — CID 113001347

IUPAC2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H13Cl3N2O2/c17-11-3-1-10(2-4-11)5-15(22)20-9-16(23)21-14-7-12(18)6-13(19)8-14/h1-4,6-8H,5,9H2,(H,20,22)(H,21,23)
InChIKeyHAGDNDROCIZSQK-UHFFFAOYSA-N
MW371.65 g/mol
LogP3.94
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide

2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide (PubChem CID 113001347) has the molecular formula C16H13Cl3N2O2 and a molecular weight of 371.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide
PubChem CID113001347
Molecular FormulaC16H13Cl3N2O2
Molecular Weight371.65 g/mol
Exact Mass370.00
IUPAC Name2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H13Cl3N2O2/c17-11-3-1-10(2-4-11)5-15(22)20-9-16(23)21-14-7-12(18)6-13(19)8-14/h1-4,6-8H,5,9H2,(H,20,22)(H,21,23)
InChIKeyHAGDNDROCIZSQK-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.65
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
2-(4-chlorophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996792
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113001362
2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]acetamide
CID 110370533
N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide
CID 108949870
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113000562
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
CID 27682247
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide (CID 113001347) is 2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide?
The InChIKey is HAGDNDROCIZSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2/c17-11-3-1-10(2-4-11)5-15(22)20-9-16(23)21-14-7-12(18)6-13(19)8-14/h1-4,6-8H,5,9H2,(H,20,22)(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide has a molecular weight of 371.65 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 113001347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).