5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide

C17H18BrNO3 — CID 112817353

IUPAC5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide
SMILESO=C(c1cc(Br)ccc1O)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C17H18BrNO3/c18-12-7-8-16(20)15(10-12)17(21)19(13-4-1-2-5-13)11-14-6-3-9-22-14/h3,6-10,13,20H,1-2,4-5,11H2
InChIKeyFUPULLFQQULQRY-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.33
Rot. Bonds4

About 5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide

5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide (PubChem CID 112817353) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide
PubChem CID112817353
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide
SMILESO=C(c1cc(Br)ccc1O)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C17H18BrNO3/c18-12-7-8-16(20)15(10-12)17(21)19(13-4-1-2-5-13)11-14-6-3-9-22-14/h3,6-10,13,20H,1-2,4-5,11H2
InChIKeyFUPULLFQQULQRY-UHFFFAOYSA-N
XLogP4.33
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 115299012
2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 103754840
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107074445
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 60738196
methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate
CID 103769480
N-cyclopentyl-N-(furan-2-ylmethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337341
N-cyclopentyl-N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63860432
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 113255537
N-cyclopentyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 60738271
N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 87024565
4-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 107074444

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide (CID 112817353) is 5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide is O=C(c1cc(Br)ccc1O)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of 5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide?
The InChIKey is FUPULLFQQULQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c18-12-7-8-16(20)15(10-12)17(21)19(13-4-1-2-5-13)11-14-6-3-9-22-14/h3,6-10,13,20H,1-2,4-5,11H2.
What are the key properties of 5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide?
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide has a molecular weight of 364.24 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide is sourced from PubChem (CID 112817353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).