4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide

C11H11Br2F2NO2 — CID 107491830

IUPAC4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide
SMILESO=C(c1ccc(Br)cc1O)N(CCBr)CC(F)F
InChIInChI=1S/C11H11Br2F2NO2/c12-3-4-16(6-10(14)15)11(18)8-2-1-7(13)5-9(8)17/h1-2,5,10,17H,3-4,6H2
InChIKeyHAYFRTMXTQLMMT-UHFFFAOYSA-N
MW387.02 g/mol
LogP3.26
Rot. Bonds5

About 4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide

4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide (PubChem CID 107491830) has the molecular formula C11H11Br2F2NO2 and a molecular weight of 387.02 g/mol. Its IUPAC name is 4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide
PubChem CID107491830
Molecular FormulaC11H11Br2F2NO2
Molecular Weight387.02 g/mol
Exact Mass384.91
IUPAC Name4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide
SMILESO=C(c1ccc(Br)cc1O)N(CCBr)CC(F)F
InChIInChI=1S/C11H11Br2F2NO2/c12-3-4-16(6-10(14)15)11(18)8-2-1-7(13)5-9(8)17/h1-2,5,10,17H,3-4,6H2
InChIKeyHAYFRTMXTQLMMT-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.02
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide
CID 107491527
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxy-5-methylbenzamide
CID 107491889
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-hydroxy-2-methylbenzamide
CID 107491853
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3,4-dihydroxybenzamide
CID 107729136
N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 122149694
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide
CID 107491884
4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63395588
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxy-3-methoxybenzamide
CID 107491724
N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726301
4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide
CID 132991594
N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide
CID 107491837
4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
CID 63692169

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide (CID 107491830) is 4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide is O=C(c1ccc(Br)cc1O)N(CCBr)CC(F)F.
What is the InChIKey of 4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide?
The InChIKey is HAYFRTMXTQLMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2F2NO2/c12-3-4-16(6-10(14)15)11(18)8-2-1-7(13)5-9(8)17/h1-2,5,10,17H,3-4,6H2.
What are the key properties of 4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide?
4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide has a molecular weight of 387.02 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide is sourced from PubChem (CID 107491830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).