3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide

C21H26ClN3O2 — CID 113127314

IUPAC3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(C(C)=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H26ClN3O2/c1-4-24(5-2)19-11-9-18(10-12-19)23-21(27)13-14-25(16(3)26)20-8-6-7-17(22)15-20/h6-12,15H,4-5,13-14H2,1-3H3,(H,23,27)
InChIKeyMVVYWKZULXOAAU-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.57
Rot. Bonds8

About 3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide

3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide (PubChem CID 113127314) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
PubChem CID113127314
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(C(C)=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H26ClN3O2/c1-4-24(5-2)19-11-9-18(10-12-19)23-21(27)13-14-25(16(3)26)20-8-6-7-17(22)15-20/h6-12,15H,4-5,13-14H2,1-3H3,(H,23,27)
InChIKeyMVVYWKZULXOAAU-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'}

Analyze 3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(N-acetyl-3,4-difluoroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113135622
3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide
CID 113131889
3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide
CID 113134105
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113125911
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
CID 113131902
3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 113123875
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide?
The IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide (CID 113127314) is 3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCN(C(C)=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide?
The InChIKey is MVVYWKZULXOAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-4-24(5-2)19-11-9-18(10-12-19)23-21(27)13-14-25(16(3)26)20-8-6-7-17(22)15-20/h6-12,15H,4-5,13-14H2,1-3H3,(H,23,27).
What are the key properties of 3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide?
3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]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-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide is sourced from PubChem (CID 113127314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).