4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide

C13H14BrF2NO2 — CID 155457332

IUPAC4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCN(CC1CCOC1)C(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H14BrF2NO2/c1-17(6-8-2-3-19-7-8)13(18)12-10(15)4-9(14)5-11(12)16/h4-5,8H,2-3,6-7H2,1H3
InChIKeyJCCFSAZURZJMBV-UHFFFAOYSA-N
MW334.16 g/mol
LogP2.84
Rot. Bonds3

About 4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide

4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 155457332) has the molecular formula C13H14BrF2NO2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID155457332
Molecular FormulaC13H14BrF2NO2
Molecular Weight334.16 g/mol
Exact Mass333.02
IUPAC Name4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCN(CC1CCOC1)C(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H14BrF2NO2/c1-17(6-8-2-3-19-7-8)13(18)12-10(15)4-9(14)5-11(12)16/h4-5,8H,2-3,6-7H2,1H3
InChIKeyJCCFSAZURZJMBV-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N,N-diethylbenzamide
CID 4498254
(4-Bromophenyl)(pyrrolidin-1-yl)methanone
CID 819718
2,6-Difluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzamide
CID 91915475
4-bromo-N-(3-ethoxypropyl)benzamide
CID 2180101
4-Bromo-N,N-diethyl-2-fluorobenzamide
CID 24694026
4-Bromo-3-fluoro-N,N-dimethylbenzamide
CID 48474236
(2-Bromo-6-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 75424432
2,4-Difluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzamide
CID 91915470
3,5-difluoro-N-propyl-N-(tetrahydro-3-furanylmethyl)benzamide
CID 91915479
3,4-difluoro-N-propyl-N-(tetrahydro-3-furanylmethyl)benzamide
CID 91915480
N-Cyclopropyl-2,6-difluoro-N-[(oxolan-3-YL)methyl]benzamide
CID 110875798
2,4-Difluoro-N-methyl-N-[(oxolan-3-YL)methyl]benzamide
CID 110875851

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide (CID 155457332) is 4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide is CN(CC1CCOC1)C(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is JCCFSAZURZJMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2NO2/c1-17(6-8-2-3-19-7-8)13(18)12-10(15)4-9(14)5-11(12)16/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 334.16 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 155457332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).