5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide

C16H14BrNO2 — CID 84578206

IUPAC5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C16H14BrNO2/c17-13-2-1-10-7-12(8-11(10)9-13)16(20)18-14-3-5-15(19)6-4-14/h1-6,9,12,19H,7-8H2,(H,18,20)
InChIKeySQUWNZVLZKMFRY-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.51
Rot. Bonds2

About 5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide

5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 84578206) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID84578206
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C16H14BrNO2/c17-13-2-1-10-7-12(8-11(10)9-13)16(20)18-14-3-5-15(19)6-4-14/h1-6,9,12,19H,7-8H2,(H,18,20)
InChIKeySQUWNZVLZKMFRY-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112521584
5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 84577492
5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525315
5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525640
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
5-bromo-2,3-dihydro-1H-indene-2-carboxamide
CID 77491392
5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112524848
N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
(3R)-1-(4-bromophenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39348541
5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578269
5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112527867
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 84578206) is 5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide is O=C(Nc1ccc(O)cc1)C1Cc2ccc(Br)cc2C1.
What is the InChIKey of 5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is SQUWNZVLZKMFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-13-2-1-10-7-12(8-11(10)9-13)16(20)18-14-3-5-15(19)6-4-14/h1-6,9,12,19H,7-8H2,(H,18,20).
What are the key properties of 5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 332.20 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 84578206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).