3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide

C24H20N2O4 — CID 60533789

IUPAC3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide
SMILESCCOc1cccc(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)c1
InChIInChI=1S/C24H20N2O4/c1-2-30-19-10-6-9-18(14-19)25-22(27)17-8-5-7-16(13-17)15-26-23(28)20-11-3-4-12-21(20)24(26)29/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyBPGKARLKAZNBIF-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.13
Rot. Bonds6

About 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide (PubChem CID 60533789) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide
PubChem CID60533789
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide
SMILESCCOc1cccc(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)c1
InChIInChI=1S/C24H20N2O4/c1-2-30-19-10-6-9-18(14-19)25-22(27)17-8-5-7-16(13-17)15-26-23(28)20-11-3-4-12-21(20)24(26)29/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyBPGKARLKAZNBIF-UHFFFAOYSA-N
XLogP4.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid
CID 17342168
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 60510389
N-[4-(cyanomethyl)phenyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9260427
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-[2-(3-bromophenoxy)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 55919971
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7774642
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 46651539
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115
N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9164957

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide?
The IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide (CID 60533789) is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide.
What is the SMILES notation for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide?
The canonical SMILES for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide is CCOc1cccc(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)c1.
What is the InChIKey of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide?
The InChIKey is BPGKARLKAZNBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-2-30-19-10-6-9-18(14-19)25-22(27)17-8-5-7-16(13-17)15-26-23(28)20-11-3-4-12-21(20)24(26)29/h3-14H,2,15H2,1H3,(H,25,27).
What are the key properties of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide?
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide has a molecular weight of 400.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide is sourced from PubChem (CID 60533789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).