2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide

C14H19BrN2O — CID 119454206

IUPAC2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide
SMILESCC(C)(C(=O)NC1CCNC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-14(2,10-3-5-11(15)6-4-10)13(18)17-12-7-8-16-9-12/h3-6,12,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyAUELOOJCYSOVJH-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.20
Rot. Bonds3

About 2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide

2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119454206) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119454206
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide
SMILESCC(C)(C(=O)NC1CCNC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-14(2,10-3-5-11(15)6-4-10)13(18)17-12-7-8-16-9-12/h3-6,12,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyAUELOOJCYSOVJH-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119390315
2-methyl-2-phenyl-N-pyrrolidin-3-ylpropanamide
CID 43603539
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110893819
2-(4-fluorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119387447
2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide
CID 119451190
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-piperidin-3-ylpropanamide
CID 119426016
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710
2-(4-bromophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120575309
2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 131131747
2-(3-chlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 110464819
N-cyclopentyl-2-methyl-2-(4-methylphenyl)propanamide
CID 113198015

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide (CID 119454206) is 2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide is CC(C)(C(=O)NC1CCNC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is AUELOOJCYSOVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-14(2,10-3-5-11(15)6-4-10)13(18)17-12-7-8-16-9-12/h3-6,12,16H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide?
2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 311.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119454206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).