2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide

C16H16Cl2N2O — CID 108997357

IUPAC2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CNc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-11(12-6-3-2-4-7-12)20-15(21)10-19-16-13(17)8-5-9-14(16)18/h2-9,11,19H,10H2,1H3,(H,20,21)
InChIKeyPEFZNPLOGFKYIR-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.28
Rot. Bonds5

About 2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide

2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide (PubChem CID 108997357) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide
PubChem CID108997357
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CNc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-11(12-6-3-2-4-7-12)20-15(21)10-19-16-13(17)8-5-9-14(16)18/h2-9,11,19H,10H2,1H3,(H,20,21)
InChIKeyPEFZNPLOGFKYIR-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54812168
2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide
CID 65469961
2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 122195641
2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9099533
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95253523
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9080783

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide (CID 108997357) is 2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide is CC(NC(=O)CNc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is PEFZNPLOGFKYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-11(12-6-3-2-4-7-12)20-15(21)10-19-16-13(17)8-5-9-14(16)18/h2-9,11,19H,10H2,1H3,(H,20,21).
What are the key properties of 2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide?
2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 323.22 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 108997357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).