2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide

C13H16BrNO2 — CID 78956667

IUPAC2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCC1(CNC(=O)Cc2ccc(Br)cc2)COC1
InChIInChI=1S/C13H16BrNO2/c1-13(8-17-9-13)7-15-12(16)6-10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyHMXLBEHRWPVGGP-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.14
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide

2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide (PubChem CID 78956667) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
PubChem CID78956667
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCC1(CNC(=O)Cc2ccc(Br)cc2)COC1
InChIInChI=1S/C13H16BrNO2/c1-13(8-17-9-13)7-15-12(16)6-10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyHMXLBEHRWPVGGP-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957558
2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
2-(3-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957138
3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 113290580
3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 77089318
3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 79035684
6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide
CID 78957328
N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107030073
3-bromo-2-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113362552
2-bromo-4-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113257527
2-(4-methoxyphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956861
2-(4-aminophenyl)-N-[(1-methylcyclopentyl)methyl]acetamide;hydrochloride
CID 119780541

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide (CID 78956667) is 2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide is CC1(CNC(=O)Cc2ccc(Br)cc2)COC1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The InChIKey is HMXLBEHRWPVGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-13(8-17-9-13)7-15-12(16)6-10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16).
What are the key properties of 2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide has a molecular weight of 298.18 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide is sourced from PubChem (CID 78956667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).