3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide

C19H20Cl2N2O2 — CID 113134013

IUPAC3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c1-3-22(16-7-5-4-6-8-16)19(25)11-12-23(14(2)24)18-13-15(20)9-10-17(18)21/h4-10,13H,3,11-12H2,1-2H3
InChIKeyJIPYBOXAFKBJMM-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.79
Rot. Bonds6

About 3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide

3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide (PubChem CID 113134013) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
PubChem CID113134013
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c1-3-22(16-7-5-4-6-8-16)19(25)11-12-23(14(2)24)18-13-15(20)9-10-17(18)21/h4-10,13H,3,11-12H2,1-2H3
InChIKeyJIPYBOXAFKBJMM-UHFFFAOYSA-N
XLogP4.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 113127594
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113128426
3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide
CID 113126202
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973
3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113134364
3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113130135
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113133971
methyl 3-[acetyl-[2-(N-ethylanilino)-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176562
2-amino-N-(2,5-dichlorophenyl)-N-ethylacetamide
CID 28794924
3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide (CID 113134013) is 3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCN(C(C)=O)c1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide?
The InChIKey is JIPYBOXAFKBJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-3-22(16-7-5-4-6-8-16)19(25)11-12-23(14(2)24)18-13-15(20)9-10-17(18)21/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of 3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide?
3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide has a molecular weight of 379.29 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 113134013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).