1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide

C20H14N2O3 — CID 515964

IUPAC1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1
InChIInChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)
InChIKeyNTNYHMJYSGPGCQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.67
Rot. Bonds3

About 1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide

1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide (PubChem CID 515964) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide
PubChem CID515964
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1
InChIInChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)
InChIKeyNTNYHMJYSGPGCQ-UHFFFAOYSA-N
XLogP2.67
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-{[4-({4-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]phenyl}methyl)phenyl]methyl}-2,3-dihydro-1H-indole-2,3-dione
CID 3821945
1-Methyl-2,3-dioxoindoline-5-carboxamide
CID 515954
1-Benzyl-2,3-dioxoindoline-5-carboxamide
CID 515962
1-[(naphthalen-2-ylamino)methyl]-2,3-dihydro-1H-indole-2,3-dione
CID 2731126
acs.jmedchem.1c00409_ST.34
CID 162533603
2-(2-oxobenzo[cd]indol-1(2H)-yl)-N-phenylacetamide
CID 951909
(2,3-Dihydro-indol-1-yl)-naphthalen-2-yl-methanone
CID 3101356
2-(4-methylphenyl)-1H-naphtho[2,3-g]indazole-3,6,11(2H)-trione
CID 5162639
1-(2,5-dimethylbenzyl)-1H-indole-2,3-dione
CID 2196763
5-methyl-1-(4-methylbenzyl)-1H-indole-2,3-dione
CID 2213646
6-acetyl-2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 10960943
2-oxo-2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
CID 11048252

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide?
The IUPAC name of 1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide (CID 515964) is 1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide is NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide?
The InChIKey is NTNYHMJYSGPGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24).
What are the key properties of 1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide?
1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide is sourced from PubChem (CID 515964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).