5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide

C14H18BrNO3 — CID 103800461

IUPAC5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C14H18BrNO3/c1-9-4-5-10(15)6-12(9)13(17)16-7-11-8-18-14(2,3)19-11/h4-6,11H,7-8H2,1-3H3,(H,16,17)
InChIKeyKRZQDPUGKHYEMY-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.64
Rot. Bonds3

About 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide

5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide (PubChem CID 103800461) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
PubChem CID103800461
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C14H18BrNO3/c1-9-4-5-10(15)6-12(9)13(17)16-7-11-8-18-14(2,3)19-11/h4-6,11H,7-8H2,1-3H3,(H,16,17)
InChIKeyKRZQDPUGKHYEMY-UHFFFAOYSA-N
XLogP2.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylbenzamide
CID 113264578
5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103842932
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 103762598
4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 103800559
3-bromo-5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103827212
1-(4-bromo-2,6-dimethylphenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea
CID 3670010
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 113264583
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide
CID 107390214
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
6-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-3-carboxamide
CID 103800512
6-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide
CID 113351467
4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide
CID 107390208

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide?
The IUPAC name of 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide (CID 103800461) is 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NCC1COC(C)(C)O1.
What is the InChIKey of 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide?
The InChIKey is KRZQDPUGKHYEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-9-4-5-10(15)6-12(9)13(17)16-7-11-8-18-14(2,3)19-11/h4-6,11H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide?
5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide has a molecular weight of 328.21 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 103800461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).