3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide

C17H17Cl2N3O2 — CID 109041273

IUPAC3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O2/c1-11(23)21-14-5-3-13(4-6-14)20-9-8-17(24)22-16-10-12(18)2-7-15(16)19/h2-7,10,20H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyYAJGCNZQVCQSPV-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.39
Rot. Bonds6

About 3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide

3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide (PubChem CID 109041273) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
PubChem CID109041273
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O2/c1-11(23)21-14-5-3-13(4-6-14)20-9-8-17(24)22-16-10-12(18)2-7-15(16)19/h2-7,10,20H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyYAJGCNZQVCQSPV-UHFFFAOYSA-N
XLogP4.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109040864
N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109041021
3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037695
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
N-(2,5-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042529
3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038378
N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109042355
N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035917
3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide
CID 109038281
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033424

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of 3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide (CID 109041273) is 3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide is CC(=O)Nc1ccc(NCCC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is YAJGCNZQVCQSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-11(23)21-14-5-3-13(4-6-14)20-9-8-17(24)22-16-10-12(18)2-7-15(16)19/h2-7,10,20H,8-9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide?
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 366.25 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 109041273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).