3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide

C20H23ClN2O2 — CID 113127504

IUPAC3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1ccc(Cl)cc1)c1cccc(C)c1
InChIInChI=1S/C20H23ClN2O2/c1-4-22(19-7-5-6-15(2)14-19)20(25)12-13-23(16(3)24)18-10-8-17(21)9-11-18/h5-11,14H,4,12-13H2,1-3H3
InChIKeyUZSSXEJRJIYWIL-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.44
Rot. Bonds6

About 3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide

3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 113127504) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID113127504
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1ccc(Cl)cc1)c1cccc(C)c1
InChIInChI=1S/C20H23ClN2O2/c1-4-22(19-7-5-6-15(2)14-19)20(25)12-13-23(16(3)24)18-10-8-17(21)9-11-18/h5-11,14H,4,12-13H2,1-3H3
InChIKeyUZSSXEJRJIYWIL-UHFFFAOYSA-N
XLogP4.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113125493
3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113135183
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113134364
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113133094
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113172485
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113123283
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113171988
3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113129365

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide (CID 113127504) is 3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide is CCN(C(=O)CCN(C(C)=O)c1ccc(Cl)cc1)c1cccc(C)c1.
What is the InChIKey of 3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is UZSSXEJRJIYWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-4-22(19-7-5-6-15(2)14-19)20(25)12-13-23(16(3)24)18-10-8-17(21)9-11-18/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of 3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 358.87 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113127504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).