3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide

C21H26ClN3O2 — CID 113131902

IUPAC3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
SMILESCCN(CC)c1ccc(N(CCC(=O)Nc2ccccc2Cl)C(C)=O)cc1
InChIInChI=1S/C21H26ClN3O2/c1-4-24(5-2)17-10-12-18(13-11-17)25(16(3)26)15-14-21(27)23-20-9-7-6-8-19(20)22/h6-13H,4-5,14-15H2,1-3H3,(H,23,27)
InChIKeyVIZTXOYCXWDREJ-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.57
Rot. Bonds8

About 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide

3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide (PubChem CID 113131902) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
PubChem CID113131902
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
SMILESCCN(CC)c1ccc(N(CCC(=O)Nc2ccccc2Cl)C(C)=O)cc1
InChIInChI=1S/C21H26ClN3O2/c1-4-24(5-2)17-10-12-18(13-11-17)25(16(3)26)15-14-21(27)23-20-9-7-6-8-19(20)22/h6-13H,4-5,14-15H2,1-3H3,(H,23,27)
InChIKeyVIZTXOYCXWDREJ-UHFFFAOYSA-N
XLogP4.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 113131897
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113127314
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129516
3-[N-acetyl-4-(diethylamino)anilino]propanoic acid
CID 82320400
3-[N-acetyl-4-(diethylamino)anilino]-N-benzylpropanamide
CID 113131852
2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide
CID 113176752
3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
CID 113127100
3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113125485
2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 113176883

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide (CID 113131902) is 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide is CCN(CC)c1ccc(N(CCC(=O)Nc2ccccc2Cl)C(C)=O)cc1.
What is the InChIKey of 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide?
The InChIKey is VIZTXOYCXWDREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-4-24(5-2)17-10-12-18(13-11-17)25(16(3)26)15-14-21(27)23-20-9-7-6-8-19(20)22/h6-13H,4-5,14-15H2,1-3H3,(H,23,27).
What are the key properties of 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide?
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide has a molecular weight of 387.91 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 113131902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).