N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide

C20H23ClN2O3 — CID 113059745

IUPACN-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide
SMILESCC(=O)N(CCNC(=O)CCOc1ccccc1)c1cccc(Cl)c1C
InChIInChI=1S/C20H23ClN2O3/c1-15-18(21)9-6-10-19(15)23(16(2)24)13-12-22-20(25)11-14-26-17-7-4-3-5-8-17/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyCOLSTWRYFPALIZ-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.59
Rot. Bonds8

About N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide

N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide (PubChem CID 113059745) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide
PubChem CID113059745
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide
SMILESCC(=O)N(CCNC(=O)CCOc1ccccc1)c1cccc(Cl)c1C
InChIInChI=1S/C20H23ClN2O3/c1-15-18(21)9-6-10-19(15)23(16(2)24)13-12-22-20(25)11-14-26-17-7-4-3-5-8-17/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyCOLSTWRYFPALIZ-UHFFFAOYSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
CID 113059742
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113057798
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113058113
methyl 2-[acetyl-[2-(3-phenoxypropanoylamino)ethyl]amino]benzoate
CID 113061903
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-3-phenoxypropanamide
CID 113064450
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide
CID 113062638
tert-butyl N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]carbamate
CID 113059766
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide
CID 113059716
N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
CID 113058428
N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113059769
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113127554

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide (CID 113059745) is N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide is CC(=O)N(CCNC(=O)CCOc1ccccc1)c1cccc(Cl)c1C.
What is the InChIKey of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide?
The InChIKey is COLSTWRYFPALIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-15-18(21)9-6-10-19(15)23(16(2)24)13-12-22-20(25)11-14-26-17-7-4-3-5-8-17/h3-10H,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide?
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide has a molecular weight of 374.87 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 113059745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).