N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide

C18H18Cl2N2O3 — CID 113059644

IUPACN-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(=O)N(CCNC(=O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N2O3/c1-13(23)22(16-6-2-14(19)3-7-16)11-10-21-18(24)12-25-17-8-4-15(20)5-9-17/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyANEJXQRGHKPKNO-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.54
Rot. Bonds7

About N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide

N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 113059644) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID113059644
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(=O)N(CCNC(=O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N2O3/c1-13(23)22(16-6-2-14(19)3-7-16)11-10-21-18(24)12-25-17-8-4-15(20)5-9-17/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyANEJXQRGHKPKNO-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113057322
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide
CID 113059114
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide
CID 113053780
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide
CID 113052275
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide
CID 113060232
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide
CID 137400318
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062329
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062387
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113061827
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide (CID 113059644) is N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide is CC(=O)N(CCNC(=O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is ANEJXQRGHKPKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-13(23)22(16-6-2-14(19)3-7-16)11-10-21-18(24)12-25-17-8-4-15(20)5-9-17/h2-9H,10-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide?
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 381.26 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 113059644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).