2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C18H19Cl2N3O — CID 109010505

IUPAC2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1Cl)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H19Cl2N3O/c19-15-4-3-5-16(18(15)20)21-12-17(24)22-13-6-8-14(9-7-13)23-10-1-2-11-23/h3-9,21H,1-2,10-12H2,(H,22,24)
InChIKeyZIAOANHZSCKWPQ-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.64
Rot. Bonds5

About 2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 109010505) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID109010505
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1Cl)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H19Cl2N3O/c19-15-4-3-5-16(18(15)20)21-12-17(24)22-13-6-8-14(9-7-13)23-10-1-2-11-23/h3-9,21H,1-2,10-12H2,(H,22,24)
InChIKeyZIAOANHZSCKWPQ-UHFFFAOYSA-N
XLogP4.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.64
H-Bond Donors ≤ 52
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

N-(4-chlorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 29039257
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 42069796
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108954901
2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 60603019
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008455
methyl 2-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]benzoate
CID 55434513
2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109009928
2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009287
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
N-(3-chloro-4-fluorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54815845

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 109010505) is 2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(CNc1cccc(Cl)c1Cl)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is ZIAOANHZSCKWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c19-15-4-3-5-16(18(15)20)21-12-17(24)22-13-6-8-14(9-7-13)23-10-1-2-11-23/h3-9,21H,1-2,10-12H2,(H,22,24).
What are the key properties of 2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 364.28 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 109010505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).