2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide

C20H23ClN2O4 — CID 113172889

IUPAC2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccc(OC(C)C)cc1)C(C)=O
InChIInChI=1S/C20H23ClN2O4/c1-13(2)27-17-8-6-16(7-9-17)22-20(25)12-23(14(3)24)18-11-15(21)5-10-19(18)26-4/h5-11,13H,12H2,1-4H3,(H,22,25)
InChIKeyLFJUIQJHJXFOKJ-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.13
Rot. Bonds7

About 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide

2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 113172889) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID113172889
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccc(OC(C)C)cc1)C(C)=O
InChIInChI=1S/C20H23ClN2O4/c1-13(2)27-17-8-6-16(7-9-17)22-20(25)12-23(14(3)24)18-11-15(21)5-10-19(18)26-4/h5-11,13H,12H2,1-4H3,(H,22,25)
InChIKeyLFJUIQJHJXFOKJ-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113171603
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113174308
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113174118
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-chlorophenyl)acetamide
CID 113174292
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113172914
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 113172837
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,6-diethylphenyl)acetamide
CID 113172865
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52782436
N-(4-acetamidophenyl)-2-(N-acetyl-2,4-dimethoxyanilino)acetamide
CID 113174784
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide
CID 113172867
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide
CID 113174445

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide (CID 113172889) is 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide is COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(OC(C)C)cc1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is LFJUIQJHJXFOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-13(2)27-17-8-6-16(7-9-17)22-20(25)12-23(14(3)24)18-11-15(21)5-10-19(18)26-4/h5-11,13H,12H2,1-4H3,(H,22,25).
What are the key properties of 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 390.87 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 113172889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).