N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide

C18H14N2O3 — CID 132517578

IUPACN-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide
SMILESC=CC(NC(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O3/c1-2-15(19-16(21)12-8-4-3-5-9-12)20-17(22)13-10-6-7-11-14(13)18(20)23/h2-11,15H,1H2,(H,19,21)
InChIKeyRIWYOVYZBINBIO-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.22
Rot. Bonds4

About N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide

N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide (PubChem CID 132517578) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide.

Molecular Properties

Compound NameN-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide
PubChem CID132517578
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide
SMILESC=CC(NC(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O3/c1-2-15(19-16(21)12-8-4-3-5-9-12)20-17(22)13-10-6-7-11-14(13)18(20)23/h2-11,15H,1H2,(H,19,21)
InChIKeyRIWYOVYZBINBIO-UHFFFAOYSA-N
XLogP2.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-(1,3-dioxoisoindol-2-yl)but-3-enoate
CID 11096858
N-(1-fluoroprop-2-enyl)benzamide
CID 69227826
N-(1-aminoprop-2-enyl)benzamide
CID 69046323
2-(1-bromoprop-2-enyl)isoindole-1,3-dione
CID 66693007
N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide
CID 57161994
N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide
CID 165345561
N-(1-methoxybut-3-enyl)benzamide
CID 3700027
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2877850
2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 14542722
2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 11140972
2,2-dibenzamidoacetic acid
CID 12521150
(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide
CID 101037296

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide?
The IUPAC name of N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide (CID 132517578) is N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide.
What is the SMILES notation for N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide?
The canonical SMILES for N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide is C=CC(NC(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide?
The InChIKey is RIWYOVYZBINBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-2-15(19-16(21)12-8-4-3-5-9-12)20-17(22)13-10-6-7-11-14(13)18(20)23/h2-11,15H,1H2,(H,19,21).
What are the key properties of N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide?
N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide has a molecular weight of 306.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide is sourced from PubChem (CID 132517578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).