4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide

C14H15BrF3NO2 — CID 104957576

IUPAC4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1(CCO)CC1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H15BrF3NO2/c15-9-1-2-10(11(7-9)14(16,17)18)12(21)19-8-13(3-4-13)5-6-20/h1-2,7,20H,3-6,8H2,(H,19,21)
InChIKeyAXXWQMNNJFJKPD-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.36
Rot. Bonds5

About 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide

4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 104957576) has the molecular formula C14H15BrF3NO2 and a molecular weight of 366.18 g/mol. Its IUPAC name is 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID104957576
Molecular FormulaC14H15BrF3NO2
Molecular Weight366.18 g/mol
Exact Mass365.02
IUPAC Name4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1(CCO)CC1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H15BrF3NO2/c15-9-1-2-10(11(7-9)14(16,17)18)12(21)19-8-13(3-4-13)5-6-20/h1-2,7,20H,3-6,8H2,(H,19,21)
InChIKeyAXXWQMNNJFJKPD-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925064
4-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 103925334
4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925298
4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide
CID 103925383
2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
CID 107941471
2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114750942
4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 107333120
4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
CID 105343037
N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide
CID 107333140
5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide
CID 114758312
4-bromo-N-(2-methylsulfanylethyl)-2-(trifluoromethyl)benzamide
CID 113352612

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide (CID 104957576) is 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide is O=C(NCC1(CCO)CC1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is AXXWQMNNJFJKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO2/c15-9-1-2-10(11(7-9)14(16,17)18)12(21)19-8-13(3-4-13)5-6-20/h1-2,7,20H,3-6,8H2,(H,19,21).
What are the key properties of 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide?
4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 366.18 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 104957576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).