3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide

C15H15BrN2O2 — CID 51155626

IUPAC3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCOc1cccc(Br)c1)NCc1cccnc1
InChIInChI=1S/C15H15BrN2O2/c16-13-4-1-5-14(9-13)20-8-6-15(19)18-11-12-3-2-7-17-10-12/h1-5,7,9-10H,6,8,11H2,(H,18,19)
InChIKeyCNOYHSDHAIIVQD-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.93
Rot. Bonds6

About 3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide

3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 51155626) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID51155626
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCOc1cccc(Br)c1)NCc1cccnc1
InChIInChI=1S/C15H15BrN2O2/c16-13-4-1-5-14(9-13)20-8-6-15(19)18-11-12-3-2-7-17-10-12/h1-5,7,9-10H,6,8,11H2,(H,18,19)
InChIKeyCNOYHSDHAIIVQD-UHFFFAOYSA-N
XLogP2.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one
CID 55086755
3-(4-ethylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 108795745
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 55588021
4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide
CID 7959313
N-[(3-bromophenyl)methyl]-3-(3,4-dimethylphenoxy)propanamide
CID 52570793
3-(3-bromophenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134045003
1-[2-(4-bromophenoxy)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 112971288
3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide
CID 61091366
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 142612479

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 51155626) is 3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide is O=C(CCOc1cccc(Br)c1)NCc1cccnc1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is CNOYHSDHAIIVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-13-4-1-5-14(9-13)20-8-6-15(19)18-11-12-3-2-7-17-10-12/h1-5,7,9-10H,6,8,11H2,(H,18,19).
What are the key properties of 3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 335.20 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 51155626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).