N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide

C13H17BrN2O — CID 47148429

IUPACN-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN2O/c14-11-5-1-2-6-12(11)15-13(17)7-10-16-8-3-4-9-16/h1-2,5-6H,3-4,7-10H2,(H,15,17)
InChIKeyDPKCIJJKMHFTDY-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.87
Rot. Bonds4

About N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide

N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 47148429) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID47148429
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN2O/c14-11-5-1-2-6-12(11)15-13(17)7-10-16-8-3-4-9-16/h1-2,5-6H,3-4,7-10H2,(H,15,17)
InChIKeyDPKCIJJKMHFTDY-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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Related Compounds

N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109024617
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 36662901
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 60501821
N-pyridin-2-yl-3-pyrrolidin-1-ylpropanamide
CID 110688245
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
CID 110688369
N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340912
N-(2-bromophenyl)butanamide
CID 732405

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide (CID 47148429) is N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is DPKCIJJKMHFTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-11-5-1-2-6-12(11)15-13(17)7-10-16-8-3-4-9-16/h1-2,5-6H,3-4,7-10H2,(H,15,17).
What are the key properties of N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide?
N-(2-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-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 47148429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).