4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C11H11BrF3NO3 — CID 103726237

IUPAC4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H11BrF3NO3/c1-19-8-4-6(12)2-3-7(8)10(18)16-5-9(17)11(13,14)15/h2-4,9,17H,5H2,1H3,(H,16,18)
InChIKeyGNYHSAQITWGWKF-UHFFFAOYSA-N
MW342.11 g/mol
LogP2.11
Rot. Bonds4

About 4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103726237) has the molecular formula C11H11BrF3NO3 and a molecular weight of 342.11 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103726237
Molecular FormulaC11H11BrF3NO3
Molecular Weight342.11 g/mol
Exact Mass340.99
IUPAC Name4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H11BrF3NO3/c1-19-8-4-6(12)2-3-7(8)10(18)16-5-9(17)11(13,14)15/h2-4,9,17H,5H2,1H3,(H,16,18)
InChIKeyGNYHSAQITWGWKF-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103883092
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044
4-bromo-2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248495
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
4-[(4-bromo-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 113295975
4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide
CID 115648993
4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide
CID 107157714
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
CID 114100346
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide
CID 107300567
4-bromo-2-methoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81339730

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103726237) is 4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is COc1cc(Br)ccc1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is GNYHSAQITWGWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO3/c1-19-8-4-6(12)2-3-7(8)10(18)16-5-9(17)11(13,14)15/h2-4,9,17H,5H2,1H3,(H,16,18).
What are the key properties of 4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 342.11 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103726237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).