2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide

C19H20Cl2N2O — CID 56559143

IUPAC2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cc2)C1
InChIInChI=1S/C19H20Cl2N2O/c1-13-8-9-23(12-13)17-6-4-16(5-7-17)22-19(24)10-14-2-3-15(20)11-18(14)21/h2-7,11,13H,8-10,12H2,1H3,(H,22,24)
InChIKeyRKHWZRPNXAXLCT-UHFFFAOYSA-N
MW363.29 g/mol
LogP5.02
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide

2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide (PubChem CID 56559143) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
PubChem CID56559143
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cc2)C1
InChIInChI=1S/C19H20Cl2N2O/c1-13-8-9-23(12-13)17-6-4-16(5-7-17)22-19(24)10-14-2-3-15(20)11-18(14)21/h2-7,11,13H,8-10,12H2,1H3,(H,22,24)
InChIKeyRKHWZRPNXAXLCT-UHFFFAOYSA-N
XLogP5.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559113
2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857739
2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113209558
3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557578
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
3-(2-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556359
N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109010555
1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991879
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516600
2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559401
2-(3-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56555945

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide (CID 56559143) is 2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide is CC1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cc2)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is RKHWZRPNXAXLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-13-8-9-23(12-13)17-6-4-16(5-7-17)22-19(24)10-14-2-3-15(20)11-18(14)21/h2-7,11,13H,8-10,12H2,1H3,(H,22,24).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide?
2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 363.29 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 56559143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).