N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide

C11H11BrF3NO2 — CID 107492577

IUPACN-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cccc(O)c1)N(CCBr)CC(F)(F)F
InChIInChI=1S/C11H11BrF3NO2/c12-4-5-16(7-11(13,14)15)10(18)8-2-1-3-9(17)6-8/h1-3,6,17H,4-5,7H2
InChIKeyZPRCAFTZKSFVAD-UHFFFAOYSA-N
MW326.11 g/mol
LogP2.79
Rot. Bonds4

About N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide

N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107492577) has the molecular formula C11H11BrF3NO2 and a molecular weight of 326.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107492577
Molecular FormulaC11H11BrF3NO2
Molecular Weight326.11 g/mol
Exact Mass324.99
IUPAC NameN-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cccc(O)c1)N(CCBr)CC(F)(F)F
InChIInChI=1S/C11H11BrF3NO2/c12-4-5-16(7-11(13,14)15)10(18)8-2-1-3-9(17)6-8/h1-3,6,17H,4-5,7H2
InChIKeyZPRCAFTZKSFVAD-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 52.79
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

N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492196
N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726301
3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60891416
N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492451
N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492674
3-bromo-N-(2-bromoethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492573
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 107492513
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzamide
CID 107491591
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883501
N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492398
N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103857335

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (CID 107492577) is N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1cccc(O)c1)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ZPRCAFTZKSFVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2/c12-4-5-16(7-11(13,14)15)10(18)8-2-1-3-9(17)6-8/h1-3,6,17H,4-5,7H2.
What are the key properties of N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 326.11 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107492577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).