N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

C26H22F2N2O5 — CID 27883526

IUPACN-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1cc(CCNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)ccc1OC(F)F
InChIInChI=1S/C26H22F2N2O5/c1-15-5-3-4-6-20(15)30-24(32)18-9-8-17(14-19(18)25(30)33)23(31)29-12-11-16-7-10-21(35-26(27)28)22(13-16)34-2/h3-10,13-14,26H,11-12H2,1-2H3,(H,29,31)
InChIKeyNKYWGZIUMYHEOE-UHFFFAOYSA-N
MW480.47 g/mol
LogP4.38
Rot. Bonds8

About N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 27883526) has the molecular formula C26H22F2N2O5 and a molecular weight of 480.47 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID27883526
Molecular FormulaC26H22F2N2O5
Molecular Weight480.47 g/mol
Exact Mass480.15
IUPAC NameN-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1cc(CCNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)ccc1OC(F)F
InChIInChI=1S/C26H22F2N2O5/c1-15-5-3-4-6-20(15)30-24(32)18-9-8-17(14-19(18)25(30)33)23(31)29-12-11-16-7-10-21(35-26(27)28)22(13-16)34-2/h3-10,13-14,26H,11-12H2,1-2H3,(H,29,31)
InChIKeyNKYWGZIUMYHEOE-UHFFFAOYSA-N
XLogP4.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione
CID 122192273
N-(3-methoxyphenyl)-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxamide
CID 1939777
N-(3,4-dimethoxyphenyl)-3-oxo-2-propylisoindoline-4-carboxamide
CID 3236167
2-(4-amino-1-(3,4-dimethoxyphenyl)butyl)-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindoline-1,3-dione
CID 23627251
4-(4-Benzylpiperazin-1-yl)-2-(3,4-dimethoxybenzyl)isoindoline-1,3-dione
CID 23627554
4-(4-(2,6-Difluorobenzyl)piperazin-1-yl)-2-(3,4-dimethoxybenzyl)isoindoline-1,3-dione
CID 23627613
3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
CID 137362070
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 137362109
5-(3,4-Dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
CID 141372232
3,4-dimethoxy-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)benzamide
CID 959033
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide
CID 2115361
N-(2,6-diethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 2116543

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 27883526) is N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is COc1cc(CCNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)ccc1OC(F)F.
What is the InChIKey of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is NKYWGZIUMYHEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2O5/c1-15-5-3-4-6-20(15)30-24(32)18-9-8-17(14-19(18)25(30)33)23(31)29-12-11-16-7-10-21(35-26(27)28)22(13-16)34-2/h3-10,13-14,26H,11-12H2,1-2H3,(H,29,31).
What are the key properties of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 480.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 27883526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).