N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide

C15H9ClN2O3 — CID 3120454

IUPACN-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide
SMILESO=C1C(=O)N(C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H9ClN2O3/c16-9-5-7-10(8-6-9)17-15(21)18-12-4-2-1-3-11(12)13(19)14(18)20/h1-8H,(H,17,21)
InChIKeyIGEUYBOUFWFNKH-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.10
Rot. Bonds1

About N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide

N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide (PubChem CID 3120454) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide
PubChem CID3120454
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC NameN-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide
SMILESO=C1C(=O)N(C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H9ClN2O3/c16-9-5-7-10(8-6-9)17-15(21)18-12-4-2-1-3-11(12)13(19)14(18)20/h1-8H,(H,17,21)
InChIKeyIGEUYBOUFWFNKH-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.10
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

2,3-dioxo-N-phenylindole-1-carboxamide
CID 3582125
1-(4-chlorobenzoyl)indole-2,3-dione
CID 13040311
N-(4-chlorophenyl)-1,1,3-trioxo-1,2-benzothiazole-2-carboxamide
CID 139811353
(2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate
CID 86623508
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide
CID 110747387
N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide
CID 46365483
N-(4-chlorophenyl)-9-oxofluorene-2-carboxamide
CID 42064363
2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N,2-bis(4-methoxyphenyl)acetamide
CID 43819499
4-[[2-(2,3-dioxoindol-1-yl)acetyl]amino]benzoic acid
CID 3644129
1-(2-nitrobenzoyl)indole-2,3-dione
CID 10017434
(3E)-1-acetyl-3-[(4-chlorophenyl)methylidene]indol-2-one
CID 135073524

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide (CID 3120454) is N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide is O=C1C(=O)N(C(=O)Nc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide?
The InChIKey is IGEUYBOUFWFNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-9-5-7-10(8-6-9)17-15(21)18-12-4-2-1-3-11(12)13(19)14(18)20/h1-8H,(H,17,21).
What are the key properties of N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide?
N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide has a molecular weight of 300.70 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide is sourced from PubChem (CID 3120454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).