2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide

C19H21ClN2O — CID 67239584

IUPAC2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C2CCNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c1-13(14-2-6-17(20)7-3-14)19(23)22-18-8-4-15(5-9-18)16-10-11-21-12-16/h2-9,13,16,21H,10-12H2,1H3,(H,22,23)
InChIKeyFRQMBTAFOBCSRS-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.16
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide

2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide (PubChem CID 67239584) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide
PubChem CID67239584
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C2CCNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c1-13(14-2-6-17(20)7-3-14)19(23)22-18-8-4-15(5-9-18)16-10-11-21-12-16/h2-9,13,16,21H,10-12H2,1H3,(H,22,23)
InChIKeyFRQMBTAFOBCSRS-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide (CID 67239584) is 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide is CC(C(=O)Nc1ccc(C2CCNC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide?
The InChIKey is FRQMBTAFOBCSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13(14-2-6-17(20)7-3-14)19(23)22-18-8-4-15(5-9-18)16-10-11-21-12-16/h2-9,13,16,21H,10-12H2,1H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide?
2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide has a molecular weight of 328.84 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)propanamide is sourced from PubChem (CID 67239584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).