2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide

C16H9ClN2O4 — CID 11359389

IUPAC2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide
SMILESNC(=O)c1ccc(C(=O)c2ccc3c(c2)C(=O)C(=O)N3)cc1Cl
InChIInChI=1S/C16H9ClN2O4/c17-11-6-8(1-3-9(11)15(18)22)13(20)7-2-4-12-10(5-7)14(21)16(23)19-12/h1-6H,(H2,18,22)(H,19,21,23)
InChIKeyKOMLBXZUKKXGQY-UHFFFAOYSA-N
MW328.71 g/mol
LogP1.80
Rot. Bonds3

About 2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide

2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide (PubChem CID 11359389) has the molecular formula C16H9ClN2O4 and a molecular weight of 328.71 g/mol. Its IUPAC name is 2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide
PubChem CID11359389
Molecular FormulaC16H9ClN2O4
Molecular Weight328.71 g/mol
Exact Mass328.03
IUPAC Name2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide
SMILESNC(=O)c1ccc(C(=O)c2ccc3c(c2)C(=O)C(=O)N3)cc1Cl
InChIInChI=1S/C16H9ClN2O4/c17-11-6-8(1-3-9(11)15(18)22)13(20)7-2-4-12-10(5-7)14(21)16(23)19-12/h1-6H,(H2,18,22)(H,19,21,23)
InChIKeyKOMLBXZUKKXGQY-UHFFFAOYSA-N
XLogP1.80
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.71
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dioxo-1H-indole-5-carbonyl chloride
CID 58833990
methyl 3-chloro-4-(2,3-dioxo-1H-indol-5-yl)benzoate
CID 136589803
5-benzoyl-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 54393078
methyl 4-carbamoyl-3-chlorobenzoate
CID 171338558
5-(3,4-dichlorophenyl)-1H-indole-2,3-dione
CID 16768769
3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(pyridine-4-carbonyl)-1H-indol-2-one
CID 54199648
5-amino-1H-indole-2,3-dione;hydrochloride
CID 133055116
2-chloro-4-(2-nitrobenzoyl)benzamide
CID 102462059
5-(2,3-dichlorophenyl)-1H-indole-2,3-dione
CID 74982377
5-(3-chloro-4-fluorophenyl)-1H-indole-2,3-dione
CID 136589815
3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(pyridine-3-carbonyl)-1H-indol-2-one
CID 54458166
CID 88931083
CID 88931083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide?
The IUPAC name of 2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide (CID 11359389) is 2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide.
What is the SMILES notation for 2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide?
The canonical SMILES for 2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide is NC(=O)c1ccc(C(=O)c2ccc3c(c2)C(=O)C(=O)N3)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide?
The InChIKey is KOMLBXZUKKXGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O4/c17-11-6-8(1-3-9(11)15(18)22)13(20)7-2-4-12-10(5-7)14(21)16(23)19-12/h1-6H,(H2,18,22)(H,19,21,23).
What are the key properties of 2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide?
2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide has a molecular weight of 328.71 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide is sourced from PubChem (CID 11359389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).