3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide

C19H15BrN2O — CID 172991037

IUPAC3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CNC2)c1cc(Br)cc2ccccc12
InChIInChI=1S/C19H15BrN2O/c20-15-7-12-3-1-2-4-17(12)18(9-15)19(23)22-16-6-5-13-10-21-11-14(13)8-16/h1-9,21H,10-11H2,(H,22,23)
InChIKeyXJBLHUNGQLAOGU-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.46
Rot. Bonds2

About 3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide

3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide (PubChem CID 172991037) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide
PubChem CID172991037
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Name3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CNC2)c1cc(Br)cc2ccccc12
InChIInChI=1S/C19H15BrN2O/c20-15-7-12-3-1-2-4-17(12)18(9-15)19(23)22-16-6-5-13-10-21-11-14(13)8-16/h1-9,21H,10-11H2,(H,22,23)
InChIKeyXJBLHUNGQLAOGU-UHFFFAOYSA-N
XLogP4.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide?
The IUPAC name of 3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide (CID 172991037) is 3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for 3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide is O=C(Nc1ccc2c(c1)CNC2)c1cc(Br)cc2ccccc12.
What is the InChIKey of 3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide?
The InChIKey is XJBLHUNGQLAOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O/c20-15-7-12-3-1-2-4-17(12)18(9-15)19(23)22-16-6-5-13-10-21-11-14(13)8-16/h1-9,21H,10-11H2,(H,22,23).
What are the key properties of 3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide?
3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide has a molecular weight of 367.25 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 172991037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).