3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide

C20H23ClN2O2 — CID 113127103

IUPAC3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN(C(C)=O)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-4-16-9-7-8-14(2)20(16)22-19(25)12-13-23(15(3)24)18-11-6-5-10-17(18)21/h5-11H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyMLKQQSFLUKPIPF-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.59
Rot. Bonds6

About 3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide

3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 113127103) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID113127103
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN(C(C)=O)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-4-16-9-7-8-14(2)20(16)22-19(25)12-13-23(15(3)24)18-11-6-5-10-17(18)21/h5-11H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyMLKQQSFLUKPIPF-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
CID 113127100
ethyl 2-[acetyl-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]amino]benzoate
CID 113134622
3-(N-acetyl-2,4-dimethylanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113124213
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113125073
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113119485
3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113134338
3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113123442
2-(2-chloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113154792
3-(N-acetyl-2-ethylanilino)-N-(3-chlorophenyl)propanamide
CID 113125262
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127797
3-(N-acetyl-3,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113130255

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide (CID 113127103) is 3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)CCN(C(C)=O)c1ccccc1Cl.
What is the InChIKey of 3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is MLKQQSFLUKPIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-4-16-9-7-8-14(2)20(16)22-19(25)12-13-23(15(3)24)18-11-6-5-10-17(18)21/h5-11H,4,12-13H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide?
3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 358.87 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 113127103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).