N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide

C17H15ClN4O — CID 624374

IUPACN'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide
SMILESCC(=O)NNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1
InChIInChI=1S/C17H15ClN4O/c1-11(23)21-22-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)20-16/h2-9H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyRIYMFZCORTVORQ-UHFFFAOYSA-N
MW326.79 g/mol
LogP2.86
Rot. Bonds1

About N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide

N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide (PubChem CID 624374) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide
PubChem CID624374
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide
SMILESCC(=O)NNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1
InChIInChI=1S/C17H15ClN4O/c1-11(23)21-22-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)20-16/h2-9H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyRIYMFZCORTVORQ-UHFFFAOYSA-N
XLogP2.86
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 52.86
H-Bond Donors ≤ 52
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 N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide?
The IUPAC name of N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide (CID 624374) is N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide.
What is the SMILES notation for N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide?
The canonical SMILES for N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide is CC(=O)NNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1.
What is the InChIKey of N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide?
The InChIKey is RIYMFZCORTVORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-11(23)21-22-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)20-16/h2-9H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide?
N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide has a molecular weight of 326.79 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide is sourced from PubChem (CID 624374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).