N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide

C19H21ClN2O4 — CID 113060232

IUPACN-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide
SMILESCOc1ccc(N(CCNC(=O)COc2ccccc2)C(C)=O)cc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-14(23)22(15-8-9-18(25-2)17(20)12-15)11-10-21-19(24)13-26-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyAFBBBZVOHXOJSY-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.90
Rot. Bonds8

About N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide

N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide (PubChem CID 113060232) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide
PubChem CID113060232
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide
SMILESCOc1ccc(N(CCNC(=O)COc2ccccc2)C(C)=O)cc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-14(23)22(15-8-9-18(25-2)17(20)12-15)11-10-21-19(24)13-26-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyAFBBBZVOHXOJSY-UHFFFAOYSA-N
XLogP2.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide
CID 113063953
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide
CID 113062635
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide
CID 113059114
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644
N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060254
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113064642
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113059329
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062329
N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113060257
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062387
methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate
CID 113061902

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide (CID 113060232) is N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide is COc1ccc(N(CCNC(=O)COc2ccccc2)C(C)=O)cc1Cl.
What is the InChIKey of N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide?
The InChIKey is AFBBBZVOHXOJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-14(23)22(15-8-9-18(25-2)17(20)12-15)11-10-21-19(24)13-26-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide?
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide has a molecular weight of 376.84 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113060232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).