N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C15H13BrN2O2 — CID 103999166

IUPACN-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1cc(Br)ccc1O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H13BrN2O2/c16-12-3-4-14(19)13(6-12)18-15(20)9-1-2-10-7-17-8-11(10)5-9/h1-6,17,19H,7-8H2,(H,18,20)
InChIKeyVDKHCGRKDQVKQY-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.01
Rot. Bonds2

About N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103999166) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103999166
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC NameN-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1cc(Br)ccc1O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H13BrN2O2/c16-12-3-4-14(19)13(6-12)18-15(20)9-1-2-10-7-17-8-11(10)5-9/h1-6,17,19H,7-8H2,(H,18,20)
InChIKeyVDKHCGRKDQVKQY-UHFFFAOYSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997721
N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558783
N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997885
N-(2-bromo-4-cyanophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998397
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999224
N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103955653
N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997882
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998325
N-[(4-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998997
N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998937

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103999166) is N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide is O=C(Nc1cc(Br)ccc1O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is VDKHCGRKDQVKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-12-3-4-14(19)13(6-12)18-15(20)9-1-2-10-7-17-8-11(10)5-9/h1-6,17,19H,7-8H2,(H,18,20).
What are the key properties of N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103999166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).