4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide

C15H21BrN2O2 — CID 128876488

IUPAC4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCC2CNCCCO2)c(C)cc1Br
InChIInChI=1S/C15H21BrN2O2/c1-10-7-14(16)11(2)6-13(10)15(19)18-9-12-8-17-4-3-5-20-12/h6-7,12,17H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyBFPDLRRKQONDTO-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.17
Rot. Bonds3

About 4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide

4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide (PubChem CID 128876488) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide
PubChem CID128876488
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCC2CNCCCO2)c(C)cc1Br
InChIInChI=1S/C15H21BrN2O2/c1-10-7-14(16)11(2)6-13(10)15(19)18-9-12-8-17-4-3-5-20-12/h6-7,12,17H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyBFPDLRRKQONDTO-UHFFFAOYSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 114028076
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
2-bromo-5-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287115
3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078
5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101
3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 107956293
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
5-chloro-2-hydroxy-N-(morpholin-2-ylmethyl)benzamide
CID 115323836
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271836
4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide
CID 82772508
2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323952
N-(morpholin-2-ylmethyl)pyrimidine-5-carboxamide
CID 102922356

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide (CID 128876488) is 4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide is Cc1cc(C(=O)NCC2CNCCCO2)c(C)cc1Br.
What is the InChIKey of 4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide?
The InChIKey is BFPDLRRKQONDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-7-14(16)11(2)6-13(10)15(19)18-9-12-8-17-4-3-5-20-12/h6-7,12,17H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide?
4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide has a molecular weight of 341.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide is sourced from PubChem (CID 128876488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).