3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide

C13H16BrNO2 — CID 99606496

IUPAC3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
SMILESCc1cc(Br)cc(C(=O)N[C@@H]2CCO[C@@H]2C)c1
InChIInChI=1S/C13H16BrNO2/c1-8-5-10(7-11(14)6-8)13(16)15-12-3-4-17-9(12)2/h5-7,9,12H,3-4H2,1-2H3,(H,15,16)/t9-,12-/m1/s1
InChIKeyIJRGKVPKRPBVND-BXKDBHETSA-N
MW298.18 g/mol
LogP2.66
Rot. Bonds2

About 3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide

3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide (PubChem CID 99606496) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
PubChem CID99606496
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
SMILESCc1cc(Br)cc(C(=O)N[C@@H]2CCO[C@@H]2C)c1
InChIInChI=1S/C13H16BrNO2/c1-8-5-10(7-11(14)6-8)13(16)15-12-3-4-17-9(12)2/h5-7,9,12H,3-4H2,1-2H3,(H,15,16)/t9-,12-/m1/s1
InChIKeyIJRGKVPKRPBVND-BXKDBHETSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113461518
3-methyl-5-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82737601
3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide
CID 99636900
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 130703611
3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114011379
3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide
CID 82731669
3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726425
3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
CID 106366494
3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide
CID 103908532
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide
CID 104852566

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide?
The IUPAC name of 3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide (CID 99606496) is 3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide is Cc1cc(Br)cc(C(=O)N[C@@H]2CCO[C@@H]2C)c1.
What is the InChIKey of 3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide?
The InChIKey is IJRGKVPKRPBVND-BXKDBHETSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-8-5-10(7-11(14)6-8)13(16)15-12-3-4-17-9(12)2/h5-7,9,12H,3-4H2,1-2H3,(H,15,16)/t9-,12-/m1/s1.
What are the key properties of 3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide?
3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide has a molecular weight of 298.18 g/mol, XLogP of 2.66, 2 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-[(2R,3R)-2-methyloxolan-3-yl]benzamide is sourced from PubChem (CID 99606496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).