2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide

C15H10ClN3O4 — CID 71876742

IUPAC2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
SMILESO=C1NCc2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc21
InChIInChI=1S/C15H10ClN3O4/c16-11-2-1-3-12(19(22)23)13(11)15(21)18-9-5-4-8-7-17-14(20)10(8)6-9/h1-6H,7H2,(H,17,20)(H,18,21)
InChIKeyIPXDUTRKLYHTDK-UHFFFAOYSA-N
MW331.72 g/mol
LogP2.74
Rot. Bonds3

About 2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide

2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide (PubChem CID 71876742) has the molecular formula C15H10ClN3O4 and a molecular weight of 331.72 g/mol. Its IUPAC name is 2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
PubChem CID71876742
Molecular FormulaC15H10ClN3O4
Molecular Weight331.72 g/mol
Exact Mass331.04
IUPAC Name2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
SMILESO=C1NCc2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc21
InChIInChI=1S/C15H10ClN3O4/c16-11-2-1-3-12(19(22)23)13(11)15(21)18-9-5-4-8-7-17-14(20)10(8)6-9/h1-6H,7H2,(H,17,20)(H,18,21)
InChIKeyIPXDUTRKLYHTDK-UHFFFAOYSA-N
XLogP2.74
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.72
LogP ≤ 52.74
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-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide
CID 86872698
3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
CID 86872687
2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide
CID 103730390
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide
CID 75520228
2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
CID 86872690
2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide
CID 19006407
2-chloro-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 112691406
2-chloro-6-nitrobenzoic acid
CID 170923318
2-chloro-6-nitro-N-(piperidin-4-ylmethyl)benzamide
CID 63659497
N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide
CID 63658381

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide?
The IUPAC name of 2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide (CID 71876742) is 2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide?
The canonical SMILES for 2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide is O=C1NCc2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc21.
What is the InChIKey of 2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide?
The InChIKey is IPXDUTRKLYHTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4/c16-11-2-1-3-12(19(22)23)13(11)15(21)18-9-5-4-8-7-17-14(20)10(8)6-9/h1-6H,7H2,(H,17,20)(H,18,21).
What are the key properties of 2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide?
2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide has a molecular weight of 331.72 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-nitro-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide is sourced from PubChem (CID 71876742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).