1,3-dioxo-N-phenylisoindole-5-carboxamide

C15H10N2O3 — CID 22001655

IUPAC1,3-dioxo-N-phenylisoindole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C15H10N2O3/c18-13(16-10-4-2-1-3-5-10)9-6-7-11-12(8-9)15(20)17-14(11)19/h1-8H,(H,16,18)(H,17,19,20)
InChIKeyLSQDURZOYFAVBG-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.82
Rot. Bonds2

About 1,3-dioxo-N-phenylisoindole-5-carboxamide

1,3-dioxo-N-phenylisoindole-5-carboxamide (PubChem CID 22001655) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1,3-dioxo-N-phenylisoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-N-phenylisoindole-5-carboxamide
PubChem CID22001655
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name1,3-dioxo-N-phenylisoindole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C15H10N2O3/c18-13(16-10-4-2-1-3-5-10)9-6-7-11-12(8-9)15(20)17-14(11)19/h1-8H,(H,16,18)(H,17,19,20)
InChIKeyLSQDURZOYFAVBG-UHFFFAOYSA-N
XLogP1.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 164728727
N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
CID 2953655
N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211221
N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen
CID 169211220
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 99804576
4-[(9,10-dioxoanthracene-2-carbonyl)amino]benzoic acid
CID 155606415
N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 28834338
N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17172105
N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 167991021
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 130284062
N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 167011128

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-N-phenylisoindole-5-carboxamide?
The IUPAC name of 1,3-dioxo-N-phenylisoindole-5-carboxamide (CID 22001655) is 1,3-dioxo-N-phenylisoindole-5-carboxamide.
What is the SMILES notation for 1,3-dioxo-N-phenylisoindole-5-carboxamide?
The canonical SMILES for 1,3-dioxo-N-phenylisoindole-5-carboxamide is O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 1,3-dioxo-N-phenylisoindole-5-carboxamide?
The InChIKey is LSQDURZOYFAVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-13(16-10-4-2-1-3-5-10)9-6-7-11-12(8-9)15(20)17-14(11)19/h1-8H,(H,16,18)(H,17,19,20).
What are the key properties of 1,3-dioxo-N-phenylisoindole-5-carboxamide?
1,3-dioxo-N-phenylisoindole-5-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-N-phenylisoindole-5-carboxamide is sourced from PubChem (CID 22001655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).