2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide

C11H11BrF3NO2 — CID 107479991

IUPAC2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1c(F)cccc1Br)N(CCO)CC(F)F
InChIInChI=1S/C11H11BrF3NO2/c12-7-2-1-3-8(13)10(7)11(18)16(4-5-17)6-9(14)15/h1-3,9,17H,4-6H2
InChIKeyVAZYSMJMYJAUQK-UHFFFAOYSA-N
MW326.11 g/mol
LogP2.29
Rot. Bonds5

About 2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide

2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 107479991) has the molecular formula C11H11BrF3NO2 and a molecular weight of 326.11 g/mol. Its IUPAC name is 2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID107479991
Molecular FormulaC11H11BrF3NO2
Molecular Weight326.11 g/mol
Exact Mass324.99
IUPAC Name2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1c(F)cccc1Br)N(CCO)CC(F)F
InChIInChI=1S/C11H11BrF3NO2/c12-7-2-1-3-8(13)10(7)11(18)16(4-5-17)6-9(14)15/h1-3,9,17H,4-6H2
InChIKeyVAZYSMJMYJAUQK-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 114559534
N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107479182
2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide
CID 114559340
N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide
CID 107479214
3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 114020515
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-bromo-N-ethyl-6-fluorobenzamide
CID 114559245
N-(2,2-difluoroethyl)-2,3-difluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 107479235
2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
CID 114561002
2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 107483219
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate
CID 114559509

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide (CID 107479991) is 2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide is O=C(c1c(F)cccc1Br)N(CCO)CC(F)F.
What is the InChIKey of 2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is VAZYSMJMYJAUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2/c12-7-2-1-3-8(13)10(7)11(18)16(4-5-17)6-9(14)15/h1-3,9,17H,4-6H2.
What are the key properties of 2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide?
2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 326.11 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 107479991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).