2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide

C18H19BrN2O2 — CID 91629797

IUPAC2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
SMILESO=C(NC(c1cccnc1)C1CCOCC1)c1ccccc1Br
InChIInChI=1S/C18H19BrN2O2/c19-16-6-2-1-5-15(16)18(22)21-17(13-7-10-23-11-8-13)14-4-3-9-20-12-14/h1-6,9,12-13,17H,7-8,10-11H2,(H,21,22)
InChIKeyRHIUQLQODNRJPD-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.74
Rot. Bonds4

About 2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide

2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide (PubChem CID 91629797) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
PubChem CID91629797
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
SMILESO=C(NC(c1cccnc1)C1CCOCC1)c1ccccc1Br
InChIInChI=1S/C18H19BrN2O2/c19-16-6-2-1-5-15(16)18(22)21-17(13-7-10-23-11-8-13)14-4-3-9-20-12-14/h1-6,9,12-13,17H,7-8,10-11H2,(H,21,22)
InChIKeyRHIUQLQODNRJPD-UHFFFAOYSA-N
XLogP3.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide
CID 985964
(E)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-3-phenylprop-2-enamide
CID 100699545
1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 91629784
2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 100699932
2-benzylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 91629752
6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide
CID 91629779
1-(1-adamantyl)-3-[oxan-4-yl(pyridin-3-yl)methyl]urea
CID 91629831
N-[oxan-4-yl(pyridin-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 91629823
3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629820
N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 100701151
3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide
CID 103982987

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide (CID 91629797) is 2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide is O=C(NC(c1cccnc1)C1CCOCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide?
The InChIKey is RHIUQLQODNRJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-16-6-2-1-5-15(16)18(22)21-17(13-7-10-23-11-8-13)14-4-3-9-20-12-14/h1-6,9,12-13,17H,7-8,10-11H2,(H,21,22).
What are the key properties of 2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide?
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide has a molecular weight of 375.27 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 91629797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).