3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide

C14H19BrN2O — CID 75425681

IUPAC3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCCC1c1ccccc1Br
InChIInChI=1S/C14H19BrN2O/c1-16-14(18)8-10-17-9-4-7-13(17)11-5-2-3-6-12(11)15/h2-3,5-6,13H,4,7-10H2,1H3,(H,16,18)
InChIKeyWITLBDUGGZQIEW-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.72
Rot. Bonds4

About 3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide

3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide (PubChem CID 75425681) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide
PubChem CID75425681
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCCC1c1ccccc1Br
InChIInChI=1S/C14H19BrN2O/c1-16-14(18)8-10-17-9-4-7-13(17)11-5-2-3-6-12(11)15/h2-3,5-6,13H,4,7-10H2,1H3,(H,16,18)
InChIKeyWITLBDUGGZQIEW-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromobenzyl)acetamide
CID 2824953
N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide
CID 2918793
N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide
CID 62679368
(2S)-N-[(2-bromophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67460094
Dodecanamide, N-(o-bromobenzyl)-
CID 59221
[(3S,4R)-4-(2-bromophenyl)pyrrolidin-3-yl]-(2-phenylpiperidin-1-yl)methanone
CID 57394453
N-[1-(3-bromophenyl)propyl]acetamide
CID 2834229
N-[1-(4-bromophenyl)ethyl]propanamide
CID 2854151
N-[1-(4-bromophenyl)ethyl]acetamide
CID 2854373
5-(4-Bromophenyl)pyrrolidin-2-one
CID 12056595
3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 51890269
1-[(2-Bromophenyl)methyl]pyrrolidin-2-one
CID 58768265

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide (CID 75425681) is 3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide is CNC(=O)CCN1CCCC1c1ccccc1Br.
What is the InChIKey of 3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide?
The InChIKey is WITLBDUGGZQIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-16-14(18)8-10-17-9-4-7-13(17)11-5-2-3-6-12(11)15/h2-3,5-6,13H,4,7-10H2,1H3,(H,16,18).
What are the key properties of 3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide?
3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide has a molecular weight of 311.22 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 75425681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).