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

C14H15BrF3NO2 — CID 103925298

IUPAC4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1(O)CCCC1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H15BrF3NO2/c15-9-3-4-10(11(7-9)14(16,17)18)12(20)19-8-13(21)5-1-2-6-13/h3-4,7,21H,1-2,5-6,8H2,(H,19,20)
InChIKeyLCLWFWZZYNLBAW-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.50
Rot. Bonds3

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

4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 103925298) has the molecular formula C14H15BrF3NO2 and a molecular weight of 366.18 g/mol. Its IUPAC name is 4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID103925298
Molecular FormulaC14H15BrF3NO2
Molecular Weight366.18 g/mol
Exact Mass365.02
IUPAC Name4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1(O)CCCC1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H15BrF3NO2/c15-9-3-4-10(11(7-9)14(16,17)18)12(20)19-8-13(21)5-1-2-6-13/h3-4,7,21H,1-2,5-6,8H2,(H,19,20)
InChIKeyLCLWFWZZYNLBAW-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 103925334
4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925064
4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 104957576
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464
N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide
CID 107333140
4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide
CID 111859437
1-[[4-bromo-2-(trifluoromethyl)benzoyl]amino]cyclobutane-1-carboxylic acid
CID 107332634
4-bromo-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119415
4-bromo-N-(2-methylsulfanylethyl)-2-(trifluoromethyl)benzamide
CID 113352612
4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide
CID 103925383

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide (CID 103925298) is 4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCC1(O)CCCC1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is LCLWFWZZYNLBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO2/c15-9-3-4-10(11(7-9)14(16,17)18)12(20)19-8-13(21)5-1-2-6-13/h3-4,7,21H,1-2,5-6,8H2,(H,19,20).
What are the key properties of 4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide?
4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 366.18 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 103925298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).