2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide

C12H12BrF3N2O3 — CID 103726174

IUPAC2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)NCC(O)C(F)(F)F
InChIInChI=1S/C12H12BrF3N2O3/c13-8-4-2-1-3-7(8)11(21)18-6-10(20)17-5-9(19)12(14,15)16/h1-4,9,19H,5-6H2,(H,17,20)(H,18,21)
InChIKeyWXXPESUHYUFGFA-UHFFFAOYSA-N
MW369.14 g/mol
LogP1.22
Rot. Bonds5

About 2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide

2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide (PubChem CID 103726174) has the molecular formula C12H12BrF3N2O3 and a molecular weight of 369.14 g/mol. Its IUPAC name is 2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide
PubChem CID103726174
Molecular FormulaC12H12BrF3N2O3
Molecular Weight369.14 g/mol
Exact Mass368.00
IUPAC Name2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)NCC(O)C(F)(F)F
InChIInChI=1S/C12H12BrF3N2O3/c13-8-4-2-1-3-7(8)11(21)18-6-10(20)17-5-9(19)12(14,15)16/h1-4,9,19H,5-6H2,(H,17,20)(H,18,21)
InChIKeyWXXPESUHYUFGFA-UHFFFAOYSA-N
XLogP1.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.14
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-[(3,3-difluoro-2-hydroxypropyl)amino]-2-oxoethyl]benzamide
CID 104889713
2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
CID 66108423
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103883092
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 103819616
2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103820494
3-[[2-[(2-bromobenzoyl)amino]acetyl]amino]butanoic acid
CID 43360744
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044
2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 18104952
2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726360
1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
CID 103726312

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide (CID 103726174) is 2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1Br)NCC(O)C(F)(F)F.
What is the InChIKey of 2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide?
The InChIKey is WXXPESUHYUFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2O3/c13-8-4-2-1-3-7(8)11(21)18-6-10(20)17-5-9(19)12(14,15)16/h1-4,9,19H,5-6H2,(H,17,20)(H,18,21).
What are the key properties of 2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide?
2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide has a molecular weight of 369.14 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide is sourced from PubChem (CID 103726174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).