N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide

C14H18BrNO2 — CID 106300936

IUPACN-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1(CBr)CCOCC1
InChIInChI=1S/C14H18BrNO2/c15-11-14(6-8-18-9-7-14)16-13(17)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)
InChIKeyMHAPJNINSCONSS-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.29
Rot. Bonds4

About N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide

N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide (PubChem CID 106300936) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide
PubChem CID106300936
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1(CBr)CCOCC1
InChIInChI=1S/C14H18BrNO2/c15-11-14(6-8-18-9-7-14)16-13(17)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)
InChIKeyMHAPJNINSCONSS-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide
CID 146427768
N-[4-(bromomethyl)oxan-4-yl]-3-(2-methylphenyl)propanamide
CID 106300831
N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 104630714
2-bromo-N-[4-(bromomethyl)oxan-4-yl]benzamide
CID 106304763
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid
CID 106296960
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
N-[4-(bromomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106304718
N-[4-(bromomethyl)oxan-4-yl]-3-(4-methoxyphenyl)propanamide
CID 106304776
N-[4-(bromomethyl)oxan-4-yl]-3-methylbutanamide
CID 106300984
N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
N-[4-(bromomethyl)oxan-4-yl]-4-chlorobenzamide
CID 106300976

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide?
The IUPAC name of N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide (CID 106300936) is N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1(CBr)CCOCC1.
What is the InChIKey of N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide?
The InChIKey is MHAPJNINSCONSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-11-14(6-8-18-9-7-14)16-13(17)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17).
What are the key properties of N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide?
N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide has a molecular weight of 312.21 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide is sourced from PubChem (CID 106300936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).