3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide

C13H15Br2NO3 — CID 104630413

IUPAC3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
SMILESO=C(NC1(CO)CCOCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H15Br2NO3/c14-10-5-9(6-11(15)7-10)12(18)16-13(8-17)1-3-19-4-2-13/h5-7,17H,1-4,8H2,(H,16,18)
InChIKeyCWLVXFQPEHNSBZ-UHFFFAOYSA-N
MW393.08 g/mol
LogP2.48
Rot. Bonds3

About 3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide

3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide (PubChem CID 104630413) has the molecular formula C13H15Br2NO3 and a molecular weight of 393.08 g/mol. Its IUPAC name is 3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
PubChem CID104630413
Molecular FormulaC13H15Br2NO3
Molecular Weight393.08 g/mol
Exact Mass390.94
IUPAC Name3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
SMILESO=C(NC1(CO)CCOCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H15Br2NO3/c14-10-5-9(6-11(15)7-10)12(18)16-13(8-17)1-3-19-4-2-13/h5-7,17H,1-4,8H2,(H,16,18)
InChIKeyCWLVXFQPEHNSBZ-UHFFFAOYSA-N
XLogP2.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide
CID 107091848
2-amino-4-bromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298468
5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 103954078
3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 103909392
3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081283
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
3-[(3,5-dibromobenzoyl)amino]oxolane-3-carboxylic acid
CID 107971497
2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103954059
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The IUPAC name of 3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide (CID 104630413) is 3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide is O=C(NC1(CO)CCOCC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The InChIKey is CWLVXFQPEHNSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO3/c14-10-5-9(6-11(15)7-10)12(18)16-13(8-17)1-3-19-4-2-13/h5-7,17H,1-4,8H2,(H,16,18).
What are the key properties of 3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide has a molecular weight of 393.08 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide is sourced from PubChem (CID 104630413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).