N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide

C13H17BrN2O2 — CID 55188962

IUPACN-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide
SMILESO=C(CNC1CCCOC1)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c14-11-5-1-2-6-12(11)16-13(17)8-15-10-4-3-7-18-9-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17)
InChIKeySOURYDWCHWHJNH-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.16
Rot. Bonds4

About N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide

N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide (PubChem CID 55188962) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide
PubChem CID55188962
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide
SMILESO=C(CNC1CCCOC1)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c14-11-5-1-2-6-12(11)16-13(17)8-15-10-4-3-7-18-9-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17)
InChIKeySOURYDWCHWHJNH-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-bromophenyl)-2-[(2-cyclopropyloxolan-3-yl)amino]acetamide
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N-[(2-bromophenyl)methyl]oxan-3-amine
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CID 1039657
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CID 8788462
N-(2-bromophenyl)-2-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]acetamide
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N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide (CID 55188962) is N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide is O=C(CNC1CCCOC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide?
The InChIKey is SOURYDWCHWHJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-11-5-1-2-6-12(11)16-13(17)8-15-10-4-3-7-18-9-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17).
What are the key properties of N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide?
N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide has a molecular weight of 313.19 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide is sourced from PubChem (CID 55188962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).