4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide

C13H15BrF3NO2 — CID 107332877

IUPAC4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
SMILESCC(C)N(CCO)C(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H15BrF3NO2/c1-8(2)18(5-6-19)12(20)10-4-3-9(14)7-11(10)13(15,16)17/h3-4,7-8,19H,5-6H2,1-2H3
InChIKeyYYFIAVFIIKDPJS-UHFFFAOYSA-N
MW354.17 g/mol
LogP3.31
Rot. Bonds4

About 4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide

4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide (PubChem CID 107332877) has the molecular formula C13H15BrF3NO2 and a molecular weight of 354.17 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
PubChem CID107332877
Molecular FormulaC13H15BrF3NO2
Molecular Weight354.17 g/mol
Exact Mass353.02
IUPAC Name4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
SMILESCC(C)N(CCO)C(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H15BrF3NO2/c1-8(2)18(5-6-19)12(20)10-4-3-9(14)7-11(10)13(15,16)17/h3-4,7-8,19H,5-6H2,1-2H3
InChIKeyYYFIAVFIIKDPJS-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 107333532
5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide
CID 43573631
3-[[4-bromo-2-(trifluoromethyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 107332607
4-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-(trifluoromethyl)benzamide
CID 103925342
2,4-dibromo-N-propan-2-yl-N-propylbenzamide
CID 107951573
5-bromo-2-hydroxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 107729713
4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 115369231
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-N-methyl-2-(trifluoromethyl)benzamide
CID 107332817
N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide
CID 103278143
4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide
CID 107332937
2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol
CID 65483629
2-[4-bromo-N-propan-2-yl-2-(trifluoromethyl)anilino]acetic acid
CID 65484967

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide (CID 107332877) is 4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide is CC(C)N(CCO)C(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide?
The InChIKey is YYFIAVFIIKDPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO2/c1-8(2)18(5-6-19)12(20)10-4-3-9(14)7-11(10)13(15,16)17/h3-4,7-8,19H,5-6H2,1-2H3.
What are the key properties of 4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide?
4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide has a molecular weight of 354.17 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 107332877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).