7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C15H12ClN3O2 — CID 3046350

IUPAC7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1NO
InChIInChI=1S/C15H12ClN3O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-14(19-21)15(20)17-12/h1-8,14,19,21H,(H,17,20)
InChIKeyJYLMFSYGFXDQGM-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.43
Rot. Bonds2

About 7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 3046350) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID3046350
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1NO
InChIInChI=1S/C15H12ClN3O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-14(19-21)15(20)17-12/h1-8,14,19,21H,(H,17,20)
InChIKeyJYLMFSYGFXDQGM-UHFFFAOYSA-N
XLogP2.43
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 3046350) is 7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1NO.
What is the InChIKey of 7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is JYLMFSYGFXDQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-14(19-21)15(20)17-12/h1-8,14,19,21H,(H,17,20).
What are the key properties of 7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 301.73 g/mol, XLogP of 2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(hydroxyamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 3046350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).