3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide

C14H18BrNO2 — CID 104852566

IUPAC3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NCC2CCCCO2)c1
InChIInChI=1S/C14H18BrNO2/c1-10-6-11(8-12(15)7-10)14(17)16-9-13-4-2-3-5-18-13/h6-8,13H,2-5,9H2,1H3,(H,16,17)
InChIKeyUJIOUQNLUSSEFD-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.06
Rot. Bonds3

About 3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide

3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide (PubChem CID 104852566) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide
PubChem CID104852566
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NCC2CCCCO2)c1
InChIInChI=1S/C14H18BrNO2/c1-10-6-11(8-12(15)7-10)14(17)16-9-13-4-2-3-5-18-13/h6-8,13H,2-5,9H2,1H3,(H,16,17)
InChIKeyUJIOUQNLUSSEFD-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
3,5-difluoro-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185334
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104852574
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
CID 99606496
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62159652
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide
CID 96539085

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide (CID 104852566) is 3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide is Cc1cc(Br)cc(C(=O)NCC2CCCCO2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is UJIOUQNLUSSEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10-6-11(8-12(15)7-10)14(17)16-9-13-4-2-3-5-18-13/h6-8,13H,2-5,9H2,1H3,(H,16,17).
What are the key properties of 3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide?
3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 312.21 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 104852566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).