5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide

C15H18BrNO2 — CID 103711996

IUPAC5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
SMILESO=C(NCC(C1CC1)C1CC1)c1cc(Br)ccc1O
InChIInChI=1S/C15H18BrNO2/c16-11-5-6-14(18)12(7-11)15(19)17-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13,18H,1-4,8H2,(H,17,19)
InChIKeyHIJINYFUFAOGMW-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.32
Rot. Bonds5

About 5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide

5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide (PubChem CID 103711996) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
PubChem CID103711996
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
SMILESO=C(NCC(C1CC1)C1CC1)c1cc(Br)ccc1O
InChIInChI=1S/C15H18BrNO2/c16-11-5-6-14(18)12(7-11)15(19)17-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13,18H,1-4,8H2,(H,17,19)
InChIKeyHIJINYFUFAOGMW-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide
CID 107723246
N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide
CID 103714393
5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
CID 103602044
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
5-bromo-2-hydroxy-N-(thian-4-ylmethyl)benzamide
CID 113235380
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
CID 107730482
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801
2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide
CID 103709264
5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111662219
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide
CID 113235026

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide (CID 103711996) is 5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide is O=C(NCC(C1CC1)C1CC1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide?
The InChIKey is HIJINYFUFAOGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c16-11-5-6-14(18)12(7-11)15(19)17-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13,18H,1-4,8H2,(H,17,19).
What are the key properties of 5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide?
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide has a molecular weight of 324.22 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide is sourced from PubChem (CID 103711996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).