5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

C19H21BrN2O2 — CID 35979072

IUPAC5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCCC1)c1cc(Br)ccc1O
InChIInChI=1S/C19H21BrN2O2/c20-16-7-8-18(23)17(11-16)19(24)21-12-14-5-1-2-6-15(14)13-22-9-3-4-10-22/h1-2,5-8,11,23H,3-4,9-10,12-13H2,(H,21,24)
InChIKeyJRFOKFUVPVZXCQ-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.68
Rot. Bonds5

About 5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 35979072) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID35979072
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCCC1)c1cc(Br)ccc1O
InChIInChI=1S/C19H21BrN2O2/c20-16-7-8-18(23)17(11-16)19(24)21-12-14-5-1-2-6-15(14)13-22-9-3-4-10-22/h1-2,5-8,11,23H,3-4,9-10,12-13H2,(H,21,24)
InChIKeyJRFOKFUVPVZXCQ-UHFFFAOYSA-N
XLogP3.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (CID 35979072) is 5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1CN1CCCC1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is JRFOKFUVPVZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c20-16-7-8-18(23)17(11-16)19(24)21-12-14-5-1-2-6-15(14)13-22-9-3-4-10-22/h1-2,5-8,11,23H,3-4,9-10,12-13H2,(H,21,24).
What are the key properties of 5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 389.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 35979072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).