2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide

C15H11ClN2O5 — CID 5099106

IUPAC2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide
SMILESO=C(Nc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1Cl
InChIInChI=1S/C15H11ClN2O5/c16-10-4-2-1-3-9(10)15(19)17-11-7-13-14(23-6-5-22-13)8-12(11)18(20)21/h1-4,7-8H,5-6H2,(H,17,19)
InChIKeyBFEJFDDBZRIEHE-UHFFFAOYSA-N
MW334.72 g/mol
LogP3.27
Rot. Bonds3

About 2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide

2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide (PubChem CID 5099106) has the molecular formula C15H11ClN2O5 and a molecular weight of 334.72 g/mol. Its IUPAC name is 2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide
PubChem CID5099106
Molecular FormulaC15H11ClN2O5
Molecular Weight334.72 g/mol
Exact Mass334.04
IUPAC Name2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide
SMILESO=C(Nc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1Cl
InChIInChI=1S/C15H11ClN2O5/c16-10-4-2-1-3-9(10)15(19)17-11-7-13-14(23-6-5-22-13)8-12(11)18(20)21/h1-4,7-8H,5-6H2,(H,17,19)
InChIKeyBFEJFDDBZRIEHE-UHFFFAOYSA-N
XLogP3.27
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(6-nitro-1,3-benzodioxol-5-yl)benzamide
CID 60703620
N-(3-chlorophenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9344512
6-[(2-chlorobenzoyl)amino]-1,3-benzodioxole-5-carboxylate
CID 8005660
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
(E)-2-cyano-3-(2,3-dichlorophenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 18207497
N-(2-benzylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9344760
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 8939925
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-nitrobenzamide
CID 926573
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)but-2-enamide
CID 73010637
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-nitro-2-piperidin-1-ylbenzamide
CID 39820467
(E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylprop-2-enamide
CID 7973324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide?
The IUPAC name of 2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide (CID 5099106) is 2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide?
The canonical SMILES for 2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide is O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide?
The InChIKey is BFEJFDDBZRIEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O5/c16-10-4-2-1-3-9(10)15(19)17-11-7-13-14(23-6-5-22-13)8-12(11)18(20)21/h1-4,7-8H,5-6H2,(H,17,19).
What are the key properties of 2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide?
2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide has a molecular weight of 334.72 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide is sourced from PubChem (CID 5099106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).