5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide

C11H10ClN3O4 — CID 113358036

IUPAC5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESO=C1CC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1
InChIInChI=1S/C11H10ClN3O4/c12-6-1-2-9(15(18)19)8(3-6)11(17)14-7-4-10(16)13-5-7/h1-3,7H,4-5H2,(H,13,16)(H,14,17)
InChIKeyCQTQJARMOMIICO-UHFFFAOYSA-N
MW283.67 g/mol
LogP0.87
Rot. Bonds3

About 5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide

5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide (PubChem CID 113358036) has the molecular formula C11H10ClN3O4 and a molecular weight of 283.67 g/mol. Its IUPAC name is 5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide
PubChem CID113358036
Molecular FormulaC11H10ClN3O4
Molecular Weight283.67 g/mol
Exact Mass283.04
IUPAC Name5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESO=C1CC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1
InChIInChI=1S/C11H10ClN3O4/c12-6-1-2-9(15(18)19)8(3-6)11(17)14-7-4-10(16)13-5-7/h1-3,7H,4-5H2,(H,13,16)(H,14,17)
InChIKeyCQTQJARMOMIICO-UHFFFAOYSA-N
XLogP0.87
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 62896045
N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide
CID 43593870
4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one
CID 118276984
N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193218
5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide
CID 103082421
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-nitrobenzamide
CID 8590047
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-nitrobenzamide
CID 8590046
N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide
CID 61037362
N-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193364
2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616971
5-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-nitrobenzamide
CID 60704660
N-acetyl-5-chloro-2-nitrobenzamide
CID 61216177

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide (CID 113358036) is 5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide is O=C1CC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1.
What is the InChIKey of 5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide?
The InChIKey is CQTQJARMOMIICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4/c12-6-1-2-9(15(18)19)8(3-6)11(17)14-7-4-10(16)13-5-7/h1-3,7H,4-5H2,(H,13,16)(H,14,17).
What are the key properties of 5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide?
5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide has a molecular weight of 283.67 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 113358036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).