N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide

C21H14N2O5 — CID 17358826

IUPACN-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O
InChIInChI=1S/C21H14N2O5/c24-15-7-5-14(6-8-15)23-20(27)17-9-4-12(10-18(17)21(23)28)19(26)22-13-2-1-3-16(25)11-13/h1-11,24-25H,(H,22,26)
InChIKeyHNQMGUSOQLXFMK-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.15
Rot. Bonds3

About N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide

N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 17358826) has the molecular formula C21H14N2O5 and a molecular weight of 374.35 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID17358826
Molecular FormulaC21H14N2O5
Molecular Weight374.35 g/mol
Exact Mass374.09
IUPAC NameN-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O
InChIInChI=1S/C21H14N2O5/c24-15-7-5-14(6-8-15)23-20(27)17-9-4-12(10-18(17)21(23)28)19(26)22-13-2-1-3-16(25)11-13/h1-11,24-25H,(H,22,26)
InChIKeyHNQMGUSOQLXFMK-UHFFFAOYSA-N
XLogP3.15
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-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

N-(3-iodophenyl)-2-[4-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3092324
N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3492403
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
3-[[2-(4-methoxycarbonylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 5009646
3-[[2-(3-benzoylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 3285684
N-(3-hydroxyphenyl)-4-(4-nitro-1,3-dioxoisoindol-2-yl)benzamide
CID 1357507
2-(4-fluorophenyl)-N-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9410846
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1364800
N-(3-nitrophenyl)-2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3100594
2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17359183
N-(3-nitrophenyl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide
CID 3094268

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 17358826) is N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide is O=C(Nc1cccc(O)c1)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O.
What is the InChIKey of N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is HNQMGUSOQLXFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O5/c24-15-7-5-14(6-8-15)23-20(27)17-9-4-12(10-18(17)21(23)28)19(26)22-13-2-1-3-16(25)11-13/h1-11,24-25H,(H,22,26).
What are the key properties of N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 374.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 17358826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).