3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide

C14H18BrNO2 — CID 113346376

IUPAC3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide
SMILESCc1c(Br)cccc1C(=O)NC1CCOC(C)C1
InChIInChI=1S/C14H18BrNO2/c1-9-8-11(6-7-18-9)16-14(17)12-4-3-5-13(15)10(12)2/h3-5,9,11H,6-8H2,1-2H3,(H,16,17)
InChIKeyABTPMRAXWOOSLE-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.05
Rot. Bonds2

About 3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide

3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide (PubChem CID 113346376) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide
PubChem CID113346376
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide
SMILESCc1c(Br)cccc1C(=O)NC1CCOC(C)C1
InChIInChI=1S/C14H18BrNO2/c1-9-8-11(6-7-18-9)16-14(17)12-4-3-5-13(15)10(12)2/h3-5,9,11H,6-8H2,1-2H3,(H,16,17)
InChIKeyABTPMRAXWOOSLE-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 114107036
3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 79036258
3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279
4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 113346668
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
3-bromo-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689154
2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide
CID 114107021
4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103890717
3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767177
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide
CID 114108164

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide?
The IUPAC name of 3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide (CID 113346376) is 3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide.
What is the SMILES notation for 3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide?
The canonical SMILES for 3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide is Cc1c(Br)cccc1C(=O)NC1CCOC(C)C1.
What is the InChIKey of 3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide?
The InChIKey is ABTPMRAXWOOSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9-8-11(6-7-18-9)16-14(17)12-4-3-5-13(15)10(12)2/h3-5,9,11H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide?
3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide has a molecular weight of 312.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide is sourced from PubChem (CID 113346376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).