2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide

C19H21ClN2O3 — CID 113171603

IUPAC2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(OC(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(2)25-18-10-6-16(7-11-18)21-19(24)12-22(14(3)23)17-8-4-15(20)5-9-17/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyXYKNYTRCRCHXHP-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.12
Rot. Bonds6

About 2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide

2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 113171603) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID113171603
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(OC(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(2)25-18-10-6-16(7-11-18)21-19(24)12-22(14(3)23)17-8-4-15(20)5-9-17/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyXYKNYTRCRCHXHP-UHFFFAOYSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide
CID 113174445
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113172889
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174499
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 113174500
2-(N-acetyl-4-methoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113173591
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-chlorophenyl)acetamide
CID 113174292
ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate
CID 113171636
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113174308
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113175968
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 94079433
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide
CID 113174433

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide (CID 113171603) is 2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(OC(C)C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is XYKNYTRCRCHXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(2)25-18-10-6-16(7-11-18)21-19(24)12-22(14(3)23)17-8-4-15(20)5-9-17/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 360.84 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 113171603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).