N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide

C22H16N2O5 — CID 2994686

IUPACN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C22H16N2O5/c1-28-19-5-3-2-4-17(19)21(26)23-13-6-8-14(9-7-13)29-15-10-11-16-18(12-15)22(27)24-20(16)25/h2-12H,1H3,(H,23,26)(H,24,25,27)
InChIKeyDVHDBZKJFKLUIB-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.62
Rot. Bonds5

About N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide

N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide (PubChem CID 2994686) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide
PubChem CID2994686
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC NameN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C22H16N2O5/c1-28-19-5-3-2-4-17(19)21(26)23-13-6-8-14(9-7-13)29-15-10-11-16-18(12-15)22(27)24-20(16)25/h2-12H,1H3,(H,23,26)(H,24,25,27)
InChIKeyDVHDBZKJFKLUIB-UHFFFAOYSA-N
XLogP3.62
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
CID 9325662
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-methoxybenzamide
CID 17362416
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide
CID 17342338
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-phenylsulfanylacetamide
CID 1293809
2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide
CID 17358807
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
CID 110352322
N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide
CID 2230182

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide (CID 2994686) is N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide?
The InChIKey is DVHDBZKJFKLUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-28-19-5-3-2-4-17(19)21(26)23-13-6-8-14(9-7-13)29-15-10-11-16-18(12-15)22(27)24-20(16)25/h2-12H,1H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide?
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide has a molecular weight of 388.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide is sourced from PubChem (CID 2994686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).