3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide

C13H17ClN2O — CID 43701399

IUPAC3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCCl)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H17ClN2O/c14-8-7-13(17)15-11-3-5-12(6-4-11)16-9-1-2-10-16/h3-6H,1-2,7-10H2,(H,15,17)
InChIKeyZIKHRQVKTPPELD-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.85
Rot. Bonds4

About 3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 43701399) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID43701399
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCCl)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H17ClN2O/c14-8-7-13(17)15-11-3-5-12(6-4-11)16-9-1-2-10-16/h3-6H,1-2,7-10H2,(H,15,17)
InChIKeyZIKHRQVKTPPELD-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
5-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pentanamide
CID 79199227
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
3-methylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18165019
3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
CID 17462050
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 43701399) is 3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide is O=C(CCCl)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is ZIKHRQVKTPPELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-8-7-13(17)15-11-3-5-12(6-4-11)16-9-1-2-10-16/h3-6H,1-2,7-10H2,(H,15,17).
What are the key properties of 3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 252.74 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 43701399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).