4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide

C17H17BrN2O3 — CID 3019649

IUPAC4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1cc(O)c(Br)c(O)c1
InChIInChI=1S/C17H17BrN2O3/c18-16-14(21)9-11(10-15(16)22)17(23)19-12-5-1-2-6-13(12)20-7-3-4-8-20/h1-2,5-6,9-10,21-22H,3-4,7-8H2,(H,19,23)
InChIKeyJERQMMFDQOYDSE-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.71
Rot. Bonds3

About 4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide

4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 3019649) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID3019649
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1cc(O)c(Br)c(O)c1
InChIInChI=1S/C17H17BrN2O3/c18-16-14(21)9-11(10-15(16)22)17(23)19-12-5-1-2-6-13(12)20-7-3-4-8-20/h1-2,5-6,9-10,21-22H,3-4,7-8H2,(H,19,23)
InChIKeyJERQMMFDQOYDSE-UHFFFAOYSA-N
XLogP3.71
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
3,5-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557750
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 4501683
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
5-phenyl-N-(2-piperidin-1-ylphenyl)thiophene-3-carboxamide
CID 126661345
5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide
CID 46486849
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996637
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide
CID 60698285

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide (CID 3019649) is 4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1ccccc1N1CCCC1)c1cc(O)c(Br)c(O)c1.
What is the InChIKey of 4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is JERQMMFDQOYDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c18-16-14(21)9-11(10-15(16)22)17(23)19-12-5-1-2-6-13(12)20-7-3-4-8-20/h1-2,5-6,9-10,21-22H,3-4,7-8H2,(H,19,23).
What are the key properties of 4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 377.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 3019649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).