N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide

C13H17BrN2O — CID 739898

IUPACN-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c14-11-3-5-12(6-4-11)15-13(17)7-10-16-8-1-2-9-16/h3-6H,1-2,7-10H2,(H,15,17)
InChIKeyBOKSTEVBDOXAQL-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.87
Rot. Bonds4

About N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide

N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 739898) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID739898
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c14-11-3-5-12(6-4-11)15-13(17)7-10-16-8-1-2-9-16/h3-6H,1-2,7-10H2,(H,15,17)
InChIKeyBOKSTEVBDOXAQL-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide (CID 739898) is N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is BOKSTEVBDOXAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-11-3-5-12(6-4-11)15-13(17)7-10-16-8-1-2-9-16/h3-6H,1-2,7-10H2,(H,15,17).
What are the key properties of N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide?
N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 297.20 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 739898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).