N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide

C23H19NO2 — CID 135012235

IUPACN-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1O/C(=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C23H19NO2/c1-24(22(25)18-12-6-3-7-13-18)23-20-15-9-8-14-19(20)21(26-23)16-17-10-4-2-5-11-17/h2-16,23H,1H3/b21-16-
InChIKeyHFSREZUDKQYUEO-PGMHBOJBSA-N
MW341.41 g/mol
LogP4.99
Rot. Bonds3

About N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide

N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide (PubChem CID 135012235) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide
PubChem CID135012235
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC NameN-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1O/C(=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C23H19NO2/c1-24(22(25)18-12-6-3-7-13-18)23-20-15-9-8-14-19(20)21(26-23)16-17-10-4-2-5-11-17/h2-16,23H,1H3/b21-16-
InChIKeyHFSREZUDKQYUEO-PGMHBOJBSA-N
XLogP4.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[(Dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71731806
2-(4-fluorobenzyl)-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 23724287
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
3-[3-(4-benzylpiperazin-1-yl)propyl]-3H-2-benzofuran-1-one
CID 141736896
MS-2764
CID 3796131
10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 455110
Isoindolinone scaffold, 53
CID 16090405
Isoindolinone scaffold, 65
CID 16090412
Isoindolinone scaffold, 13
CID 16090434
Isoindolinone scaffold, 57
CID 16090453
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3H-2-benzofuran-1-one
CID 5389515
ethyl 4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzenecarboxylate
CID 5260631

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide?
The IUPAC name of N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide (CID 135012235) is N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide.
What is the SMILES notation for N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide?
The canonical SMILES for N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1)C1O/C(=C\c2ccccc2)c2ccccc21.
What is the InChIKey of N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide?
The InChIKey is HFSREZUDKQYUEO-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H19NO2/c1-24(22(25)18-12-6-3-7-13-18)23-20-15-9-8-14-19(20)21(26-23)16-17-10-4-2-5-11-17/h2-16,23H,1H3/b21-16-.
What are the key properties of N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide?
N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-benzylidene-1H-2-benzofuran-1-yl]-N-methylbenzamide is sourced from PubChem (CID 135012235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).