2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide

C14H17BrClNO2 — CID 113257549

IUPAC2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H17BrClNO2/c1-17(8-10-3-2-6-19-9-10)14(18)12-5-4-11(16)7-13(12)15/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyYJXGBIKFAIUICB-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.60
Rot. Bonds3

About 2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide

2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide (PubChem CID 113257549) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
PubChem CID113257549
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H17BrClNO2/c1-17(8-10-3-2-6-19-9-10)14(18)12-5-4-11(16)7-13(12)15/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyYJXGBIKFAIUICB-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63713162
2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
CID 114025196
3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 103826926
3-bromo-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
CID 63717719
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63727084
2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107988270
3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706362
1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one
CID 63713469
2-hydroxy-5-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706198
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63711414

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide (CID 113257549) is 2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide is CN(CC1CCCOC1)C(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is YJXGBIKFAIUICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c1-17(8-10-3-2-6-19-9-10)14(18)12-5-4-11(16)7-13(12)15/h4-5,7,10H,2-3,6,8-9H2,1H3.
What are the key properties of 2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide?
2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 346.65 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 113257549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).