N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide

C20H23ClN2O4 — CID 113063953

IUPACN-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide
SMILESCOc1cc(Cl)c(C)cc1N(CCNC(=O)COc1ccccc1)C(C)=O
InChIInChI=1S/C20H23ClN2O4/c1-14-11-18(19(26-3)12-17(14)21)23(15(2)24)10-9-22-20(25)13-27-16-7-5-4-6-8-16/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25)
InChIKeySDMQPDJOHGXNPS-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.21
Rot. Bonds8

About N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide

N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide (PubChem CID 113063953) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide
PubChem CID113063953
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide
SMILESCOc1cc(Cl)c(C)cc1N(CCNC(=O)COc1ccccc1)C(C)=O
InChIInChI=1S/C20H23ClN2O4/c1-14-11-18(19(26-3)12-17(14)21)23(15(2)24)10-9-22-20(25)13-27-16-7-5-4-6-8-16/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25)
InChIKeySDMQPDJOHGXNPS-UHFFFAOYSA-N
XLogP3.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.21
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-(2-methylphenyl)acetamide
CID 113063961
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide
CID 113060232
methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate
CID 113061902
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113057322
N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
CID 113063901
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113134427
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113134472
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide
CID 113134443
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
CID 113061243
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide
CID 113062635
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113057798
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
CID 113055840

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide (CID 113063953) is N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide is COc1cc(Cl)c(C)cc1N(CCNC(=O)COc1ccccc1)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide?
The InChIKey is SDMQPDJOHGXNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-14-11-18(19(26-3)12-17(14)21)23(15(2)24)10-9-22-20(25)13-27-16-7-5-4-6-8-16/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide?
N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide has a molecular weight of 390.87 g/mol, XLogP of 3.21, 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-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113063953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).