7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

C15H10N4O5 — CID 23276342

IUPAC7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2N1
InChIInChI=1S/C15H10N4O5/c20-14-8-16-15(10-3-1-2-4-13(10)19(23)24)11-7-9(18(21)22)5-6-12(11)17-14/h1-7H,8H2,(H,17,20)
InChIKeyOJELCBFEIURAEP-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.29
Rot. Bonds3

About 7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 23276342) has the molecular formula C15H10N4O5 and a molecular weight of 326.27 g/mol. Its IUPAC name is 7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID23276342
Molecular FormulaC15H10N4O5
Molecular Weight326.27 g/mol
Exact Mass326.07
IUPAC Name7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2N1
InChIInChI=1S/C15H10N4O5/c20-14-8-16-15(10-3-1-2-4-13(10)19(23)24)11-7-9(18(21)22)5-6-12(11)17-14/h1-7H,8H2,(H,17,20)
InChIKeyOJELCBFEIURAEP-UHFFFAOYSA-N
XLogP2.29
TPSA127.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
CID 87845370
7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 4506
Nitrazepam sodium
CID 176507617
5-cyclohexa-1,3-dien-1-yl-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
CID 154097128
magnesium;2-[carbamimidoyl(methyl)amino]acetic acid;bis(5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one)
CID 173035965
5-(2-chlorophenyl)-7-nitro-N-(nitrosomethyl)-1,3-dihydro-1,4-benzodiazepin-2-imine
CID 152781710
7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 59966583
5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 67474800
7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
CID 57156284
5-(2-chlorophenyl)-8-nitro-1,3-dihydro-1,4-benzodiazepine-2-thione
CID 19865803
3-nitro-5,12-dihydrobenzo[c][1,6]benzodiazocine-6,11-dione
CID 3128964
5-(2-chlorophenyl)-3-fluoro-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23332704

Frequently Asked Questions

What is the IUPAC name of 7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 23276342) is 7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2N1.
What is the InChIKey of 7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is OJELCBFEIURAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O5/c20-14-8-16-15(10-3-1-2-4-13(10)19(23)24)11-7-9(18(21)22)5-6-12(11)17-14/h1-7H,8H2,(H,17,20).
What are the key properties of 7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 326.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 23276342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).