2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide

C22H19ClN2O3 — CID 113171452

IUPAC2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H19ClN2O3/c1-16(26)25(18-9-7-8-17(23)14-18)15-22(27)24-20-12-5-6-13-21(20)28-19-10-3-2-4-11-19/h2-14H,15H2,1H3,(H,24,27)
InChIKeyVWIYLKNHVGTDBS-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.12
Rot. Bonds6

About 2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide

2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide (PubChem CID 113171452) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide
PubChem CID113171452
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H19ClN2O3/c1-16(26)25(18-9-7-8-17(23)14-18)15-22(27)24-20-12-5-6-13-21(20)28-19-10-3-2-4-11-19/h2-14H,15H2,1H3,(H,24,27)
InChIKeyVWIYLKNHVGTDBS-UHFFFAOYSA-N
XLogP5.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113171415
2-(N-acetyl-4-methylanilino)-N-(2-phenoxyphenyl)acetamide
CID 113167825
2-(N-acetyl-3-chloroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113171420
2-(N-acetyl-3-methoxyanilino)-N-(2-ethoxyphenyl)acetamide
CID 113173424
2-(N-acetyl-3-methoxyanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113173418
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 113172743
2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide
CID 2095155
2-(N-acetyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113167588
2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113171389
2-(N-acetyl-3-chloroanilino)-N-(3-methylphenyl)acetamide
CID 113171372
methyl 4-[[2-(N-acetyl-3-chloroanilino)acetyl]amino]benzoate
CID 113171429
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126343496

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide (CID 113171452) is 2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide?
The InChIKey is VWIYLKNHVGTDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-16(26)25(18-9-7-8-17(23)14-18)15-22(27)24-20-12-5-6-13-21(20)28-19-10-3-2-4-11-19/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of 2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide?
2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide has a molecular weight of 394.86 g/mol, XLogP of 5.12, 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-phenoxyphenyl)acetamide is sourced from PubChem (CID 113171452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).