2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide

C26H21N3O4 — CID 34281206

IUPAC2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C26H21N3O4/c30-23(28-22-9-5-4-8-20(22)24(31)27-18-11-12-18)17-10-13-19-21(14-17)26(33)29(25(19)32)15-16-6-2-1-3-7-16/h1-10,13-14,18H,11-12,15H2,(H,27,31)(H,28,30)
InChIKeyPGBVGNNWUFVVMF-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.63
Rot. Bonds6

About 2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide

2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 34281206) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is 2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID34281206
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC Name2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C26H21N3O4/c30-23(28-22-9-5-4-8-20(22)24(31)27-18-11-12-18)17-10-13-19-21(14-17)26(33)29(25(19)32)15-16-6-2-1-3-7-16/h1-10,13-14,18H,11-12,15H2,(H,27,31)(H,28,30)
InChIKeyPGBVGNNWUFVVMF-UHFFFAOYSA-N
XLogP3.63
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminocyclohexyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119475030
cis-(1R,3S)-3-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678402
2-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-5-chlorobenzoic acid
CID 155532441
2-benzyl-1,3-dioxo-N-(2-pyrrolidin-1-ylphenyl)isoindole-5-carboxamide
CID 55360543
2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide
CID 9292976
[2-(cyclopropylamino)-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 2489761
2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 33451204
2-chloro-N-cyclopropyl-4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzamide
CID 55805338
2-[[2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 5221354
2-[[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carbonyl]amino]benzoic acid
CID 1369615
5-benzyl-N-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 5142419
2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide
CID 46543344

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 34281206) is 2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide is O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of 2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PGBVGNNWUFVVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4/c30-23(28-22-9-5-4-8-20(22)24(31)27-18-11-12-18)17-10-13-19-21(14-17)26(33)29(25(19)32)15-16-6-2-1-3-7-16/h1-10,13-14,18H,11-12,15H2,(H,27,31)(H,28,30).
What are the key properties of 2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 34281206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).