4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

C12H10BrF2N3O2 — CID 71972554

IUPAC4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1noc(CCNC(=O)c2c(F)cc(Br)cc2F)n1
InChIInChI=1S/C12H10BrF2N3O2/c1-6-17-10(20-18-6)2-3-16-12(19)11-8(14)4-7(13)5-9(11)15/h4-5H,2-3H2,1H3,(H,16,19)
InChIKeyQVCVOQLYMVSCCX-UHFFFAOYSA-N
MW346.13 g/mol
LogP2.39
Rot. Bonds4

About 4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 71972554) has the molecular formula C12H10BrF2N3O2 and a molecular weight of 346.13 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID71972554
Molecular FormulaC12H10BrF2N3O2
Molecular Weight346.13 g/mol
Exact Mass344.99
IUPAC Name4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1noc(CCNC(=O)c2c(F)cc(Br)cc2F)n1
InChIInChI=1S/C12H10BrF2N3O2/c1-6-17-10(20-18-6)2-3-16-12(19)11-8(14)4-7(13)5-9(11)15/h4-5H,2-3H2,1H3,(H,16,19)
InChIKeyQVCVOQLYMVSCCX-UHFFFAOYSA-N
XLogP2.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103882691
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103892309
4-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-sulfanylbenzamide
CID 106423390
2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide
CID 106423395
2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315
3,5-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413318
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
5-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113234051
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
2-amino-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422930
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 114185674
2-fluoro-6-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104917845

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 71972554) is 4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is Cc1noc(CCNC(=O)c2c(F)cc(Br)cc2F)n1.
What is the InChIKey of 4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is QVCVOQLYMVSCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2N3O2/c1-6-17-10(20-18-6)2-3-16-12(19)11-8(14)4-7(13)5-9(11)15/h4-5H,2-3H2,1H3,(H,16,19).
What are the key properties of 4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 346.13 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 71972554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).