2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide

C16H23BrN2O2 — CID 119531842

IUPAC2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)C(C)Oc1ccccc1Br)C1CCNC1
InChIInChI=1S/C16H23BrN2O2/c1-3-10-19(13-8-9-18-11-13)16(20)12(2)21-15-7-5-4-6-14(15)17/h4-7,12-13,18H,3,8-11H2,1-2H3
InChIKeyPMSLWVPBYOMZKB-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.82
Rot. Bonds6

About 2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide

2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119531842) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119531842
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)C(C)Oc1ccccc1Br)C1CCNC1
InChIInChI=1S/C16H23BrN2O2/c1-3-10-19(13-8-9-18-11-13)16(20)12(2)21-15-7-5-4-6-14(15)17/h4-7,12-13,18H,3,8-11H2,1-2H3
InChIKeyPMSLWVPBYOMZKB-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532235
2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824478
2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529832
2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532550
2-(4-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532521
2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
CID 119825707
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
N-piperidin-4-yl-2-(2-propan-2-yloxyphenyl)-N-propylacetamide
CID 119823731
3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532764
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530341

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 119531842) is 2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)C(C)Oc1ccccc1Br)C1CCNC1.
What is the InChIKey of 2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is PMSLWVPBYOMZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-3-10-19(13-8-9-18-11-13)16(20)12(2)21-15-7-5-4-6-14(15)17/h4-7,12-13,18H,3,8-11H2,1-2H3.
What are the key properties of 2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide?
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 355.28 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119531842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).