N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide

C23H18N2O3 — CID 91678899

IUPACN-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(Nc3ccccc3)C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H18N2O3/c1-15-8-7-9-16(14-15)22(28)25-23(24-17-10-3-2-4-11-17)20(26)18-12-5-6-13-19(18)21(23)27/h2-14,24H,1H3,(H,25,28)
InChIKeyAVBOHDSTPNRXIY-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.61
Rot. Bonds4

About N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide

N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide (PubChem CID 91678899) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide
PubChem CID91678899
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC NameN-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(Nc3ccccc3)C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H18N2O3/c1-15-8-7-9-16(14-15)22(28)25-23(24-17-10-3-2-4-11-17)20(26)18-12-5-6-13-19(18)21(23)27/h2-14,24H,1H3,(H,25,28)
InChIKeyAVBOHDSTPNRXIY-UHFFFAOYSA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide
CID 1010974
N-(3-methylphenyl)-3-(phenylcarbamothioylamino)benzamide
CID 26164526
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
CID 87724838
CID 87724838
3-methyl-N-phenacylbenzamide
CID 3417494
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-(3-methylphenyl)-9-oxofluorene-2-carboxamide
CID 42064187
1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559404
3-methylbenzoic acid
CID 7418

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide?
The IUPAC name of N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide (CID 91678899) is N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide.
What is the SMILES notation for N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide?
The canonical SMILES for N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide is Cc1cccc(C(=O)NC2(Nc3ccccc3)C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide?
The InChIKey is AVBOHDSTPNRXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-15-8-7-9-16(14-15)22(28)25-23(24-17-10-3-2-4-11-17)20(26)18-12-5-6-13-19(18)21(23)27/h2-14,24H,1H3,(H,25,28).
What are the key properties of N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide?
N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide has a molecular weight of 370.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-1,3-dioxoinden-2-yl)-3-methylbenzamide is sourced from PubChem (CID 91678899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).