2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide

C19H21ClN2O3 — CID 113171415

IUPAC2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1OC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-13(2)25-18-10-5-4-9-17(18)21-19(24)12-22(14(3)23)16-8-6-7-15(20)11-16/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyRTAQLSJUISBIFC-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.12
Rot. Bonds6

About 2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide

2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 113171415) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID113171415
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1OC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-13(2)25-18-10-5-4-9-17(18)21-19(24)12-22(14(3)23)16-8-6-7-15(20)11-16/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyRTAQLSJUISBIFC-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-3-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113167588
2-(N-acetyl-3,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113181683
2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide
CID 113171452
2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113180955
2-(N-acetyl-3-chloroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113171420
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113167392
3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113128994
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113127770
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113174773
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 113172743
2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide
CID 113171290
2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113171389

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide (CID 113171415) is 2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1OC(C)C)c1cccc(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is RTAQLSJUISBIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(2)25-18-10-5-4-9-17(18)21-19(24)12-22(14(3)23)16-8-6-7-15(20)11-16/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
2-(N-acetyl-3-chloroanilino)-N-(2-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-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 113171415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).