N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide

C32H19N3O4 — CID 4132611

IUPACN-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(Nc1ccccc1-c1nc2ccc3ccccc3c2o1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C32H19N3O4/c36-29(20-9-7-10-21(18-20)35-31(37)23-12-3-4-13-24(23)32(35)38)33-26-15-6-5-14-25(26)30-34-27-17-16-19-8-1-2-11-22(19)28(27)39-30/h1-18H,(H,33,36)
InChIKeyBZDNAAYANQCFLE-UHFFFAOYSA-N
MW509.52 g/mol
LogP6.70
Rot. Bonds4

About N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide

N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 4132611) has the molecular formula C32H19N3O4 and a molecular weight of 509.52 g/mol. Its IUPAC name is N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID4132611
Molecular FormulaC32H19N3O4
Molecular Weight509.52 g/mol
Exact Mass509.14
IUPAC NameN-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(Nc1ccccc1-c1nc2ccc3ccccc3c2o1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C32H19N3O4/c36-29(20-9-7-10-21(18-20)35-31(37)23-12-3-4-13-24(23)32(35)38)33-26-15-6-5-14-25(26)30-34-27-17-16-19-8-1-2-11-22(19)28(27)39-30/h1-18H,(H,33,36)
InChIKeyBZDNAAYANQCFLE-UHFFFAOYSA-N
XLogP6.70
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.52
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide
CID 5113548
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 4086369
[4-[(2-benzo[g][1,3]benzoxazol-2-ylphenyl)carbamoyl]phenyl] acetate
CID 4158404
2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 19177394
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 3581588
molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide
CID 143844150
N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 1271171
N-[2-(1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 23879270
9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide
CID 143844115
3-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 19177512
N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide
CID 5153626
2-[[3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoyl]amino]benzoic acid
CID 3304388

Frequently Asked Questions

What is the IUPAC name of N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide (CID 4132611) is N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide is O=C(Nc1ccccc1-c1nc2ccc3ccccc3c2o1)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is BZDNAAYANQCFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3O4/c36-29(20-9-7-10-21(18-20)35-31(37)23-12-3-4-13-24(23)32(35)38)33-26-15-6-5-14-25(26)30-34-27-17-16-19-8-1-2-11-22(19)28(27)39-30/h1-18H,(H,33,36).
What are the key properties of N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 509.52 g/mol, XLogP of 6.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 4132611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).