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

C17H15ClN4O2 — CID 3068958

IUPACN'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide
SMILESCC(=O)NNC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
InChIInChI=1S/C17H15ClN4O2/c1-10(23)21-22-16-17(24)19-14-8-7-12(18)9-13(14)15(20-16)11-5-3-2-4-6-11/h2-9,16,22H,1H3,(H,19,24)(H,21,23)
InChIKeyRACKMXKGBKTGBH-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.10
Rot. Bonds3

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

N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide (PubChem CID 3068958) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide
PubChem CID3068958
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide
SMILESCC(=O)NNC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
InChIInChI=1S/C17H15ClN4O2/c1-10(23)21-22-16-17(24)19-14-8-7-12(18)9-13(14)15(20-16)11-5-3-2-4-6-11/h2-9,16,22H,1H3,(H,19,24)(H,21,23)
InChIKeyRACKMXKGBKTGBH-UHFFFAOYSA-N
XLogP2.10
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.10
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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Related Compounds

Diazepam
CID 3016
Nordiazepam
CID 2997
Oxazepam
CID 4616
Desalkylflurazepam
CID 4540
Delorazepam
CID 17925
Didesethylflurazepam
CID 28647
Nortetrazepam
CID 166581
(3S)-7-Chloro-3-isopropyl-5-phenyl-1,3-dihydrobenzo(e)(1,4)diazepin-2-one
CID 39762
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, hydrochloride (1:2)
CID 20165
7-Chloro-5-(2,6-difluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 23275763
7-chloro-3-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
CID 38237
Diazepam N-oxide
CID 72793

Frequently Asked Questions

What is the IUPAC name of N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide?
The IUPAC name of N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide (CID 3068958) is N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide.
What is the SMILES notation for N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide?
The canonical SMILES for N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide is CC(=O)NNC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O.
What is the InChIKey of N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide?
The InChIKey is RACKMXKGBKTGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-10(23)21-22-16-17(24)19-14-8-7-12(18)9-13(14)15(20-16)11-5-3-2-4-6-11/h2-9,16,22H,1H3,(H,19,24)(H,21,23).
What are the key properties of N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide?
N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide has a molecular weight of 342.79 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide is sourced from PubChem (CID 3068958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).