N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide

C11H11BrF3NO3 — CID 107726301

IUPACN-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccc(O)cc1O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C11H11BrF3NO3/c12-3-4-16(6-11(13,14)15)10(19)8-2-1-7(17)5-9(8)18/h1-2,5,17-18H,3-4,6H2
InChIKeyRYDLUCPCSCEXBR-UHFFFAOYSA-N
MW342.11 g/mol
LogP2.50
Rot. Bonds4

About N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide

N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107726301) has the molecular formula C11H11BrF3NO3 and a molecular weight of 342.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107726301
Molecular FormulaC11H11BrF3NO3
Molecular Weight342.11 g/mol
Exact Mass340.99
IUPAC NameN-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccc(O)cc1O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C11H11BrF3NO3/c12-3-4-16(6-11(13,14)15)10(19)8-2-1-7(17)5-9(8)18/h1-2,5,17-18H,3-4,6H2
InChIKeyRYDLUCPCSCEXBR-UHFFFAOYSA-N
XLogP2.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.11
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726469
N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492577
N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107491968
2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 107966465
N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492451
N-(2-bromoethyl)-4-fluoro-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 107492675
N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492398
4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide
CID 107491830
N-(2-bromoethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107492358
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 107492513
N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492674
2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106500354

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide (CID 107726301) is N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1ccc(O)cc1O)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RYDLUCPCSCEXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO3/c12-3-4-16(6-11(13,14)15)10(19)8-2-1-7(17)5-9(8)18/h1-2,5,17-18H,3-4,6H2.
What are the key properties of N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 342.11 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107726301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).