3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide

C15H16BrNO3 — CID 122148813

IUPAC3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide
SMILESCc1ccccc1OC(C)CNC(=O)c1occc1Br
InChIInChI=1S/C15H16BrNO3/c1-10-5-3-4-6-13(10)20-11(2)9-17-15(18)14-12(16)7-8-19-14/h3-8,11H,9H2,1-2H3,(H,17,18)
InChIKeyKIALAVTVJUBPDL-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.55
Rot. Bonds5

About 3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide

3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide (PubChem CID 122148813) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide
PubChem CID122148813
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide
SMILESCc1ccccc1OC(C)CNC(=O)c1occc1Br
InChIInChI=1S/C15H16BrNO3/c1-10-5-3-4-6-13(10)20-11(2)9-17-15(18)14-12(16)7-8-19-14/h3-8,11H,9H2,1-2H3,(H,17,18)
InChIKeyKIALAVTVJUBPDL-UHFFFAOYSA-N
XLogP3.55
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82109450
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide
CID 120636277
2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82108960
N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride
CID 119497771
1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508541
1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508543
2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide
CID 71998406
N-[4-[[[N'-methyl-N-[2-(2-methylphenoxy)propyl]carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111686268
2-(2-methylphenoxy)propylhydrazine
CID 82280822

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide (CID 122148813) is 3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide is Cc1ccccc1OC(C)CNC(=O)c1occc1Br.
What is the InChIKey of 3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide?
The InChIKey is KIALAVTVJUBPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-10-5-3-4-6-13(10)20-11(2)9-17-15(18)14-12(16)7-8-19-14/h3-8,11H,9H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide?
3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide is sourced from PubChem (CID 122148813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).