2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C20H23ClN2O4 — CID 113174007

IUPAC2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cc(C)c(Cl)cc2OC)C(C)=O)cc1
InChIInChI=1S/C20H23ClN2O4/c1-5-27-16-8-6-15(7-9-16)23(14(3)24)12-20(25)22-18-10-13(2)17(21)11-19(18)26-4/h6-11H,5,12H2,1-4H3,(H,22,25)
InChIKeyXKKAJDYWYXXBIR-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.05
Rot. Bonds7

About 2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 113174007) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID113174007
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cc(C)c(Cl)cc2OC)C(C)=O)cc1
InChIInChI=1S/C20H23ClN2O4/c1-5-27-16-8-6-15(7-9-16)23(14(3)24)12-20(25)22-18-10-13(2)17(21)11-19(18)26-4/h6-11H,5,12H2,1-4H3,(H,22,25)
InChIKeyXKKAJDYWYXXBIR-UHFFFAOYSA-N
XLogP4.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-4-ethoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113173935
2-(N-acetyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113173936
2-(N-acetyl-3-chloro-2-methylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113171816
2-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113170889
2-(N-acetyl-4-ethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174005
3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113124622
2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158086
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-propylphenoxy)acetamide
CID 19174228
2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158798
2-(N-acetyl-3,4-dichloroanilino)-N-(4-ethoxyphenyl)acetamide
CID 113179508
2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191445

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 113174007) is 2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is CCOc1ccc(N(CC(=O)Nc2cc(C)c(Cl)cc2OC)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is XKKAJDYWYXXBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-5-27-16-8-6-15(7-9-16)23(14(3)24)12-20(25)22-18-10-13(2)17(21)11-19(18)26-4/h6-11H,5,12H2,1-4H3,(H,22,25).
What are the key properties of 2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 390.87 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 113174007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).