2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide

C15H21BrN2O2 — CID 119510639

IUPAC2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCc1ccc(OC(C)C(=O)NCC2CCCN2)c(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-10-5-6-14(13(16)8-10)20-11(2)15(19)18-9-12-4-3-7-17-12/h5-6,8,11-12,17H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyVTJPKYTYAXOCNM-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.39
Rot. Bonds5

About 2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide

2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119510639) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119510639
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCc1ccc(OC(C)C(=O)NCC2CCCN2)c(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-10-5-6-14(13(16)8-10)20-11(2)15(19)18-9-12-4-3-7-17-12/h5-6,8,11-12,17H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyVTJPKYTYAXOCNM-UHFFFAOYSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513815
2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577698
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-(2-methyl-5-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513940
2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
2-(2-bromo-4-methylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391338
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
2-(2-bromo-4-methylphenoxy)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 55853527
2-(2-bromo-4-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120555471
2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 47047009
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 119522000
2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511055

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119510639) is 2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide is Cc1ccc(OC(C)C(=O)NCC2CCCN2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is VTJPKYTYAXOCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-5-6-14(13(16)8-10)20-11(2)15(19)18-9-12-4-3-7-17-12/h5-6,8,11-12,17H,3-4,7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide?
2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 341.25 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119510639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).