3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide

C17H18ClN3O2 — CID 109038130

IUPAC3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClN3O2/c1-12(22)20-16-4-2-3-15(11-16)19-10-9-17(23)21-14-7-5-13(18)6-8-14/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZBAJLQJBLSOVQL-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.74
Rot. Bonds6

About 3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide

3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide (PubChem CID 109038130) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
PubChem CID109038130
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClN3O2/c1-12(22)20-16-4-2-3-15(11-16)19-10-9-17(23)21-14-7-5-13(18)6-8-14/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZBAJLQJBLSOVQL-UHFFFAOYSA-N
XLogP3.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109041146
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide
CID 109039324
N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109041136
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036992
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide?
The IUPAC name of 3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide (CID 109038130) is 3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide is CC(=O)Nc1cccc(NCCC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide?
The InChIKey is ZBAJLQJBLSOVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12(22)20-16-4-2-3-15(11-16)19-10-9-17(23)21-14-7-5-13(18)6-8-14/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide?
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide has a molecular weight of 331.80 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 109038130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).