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

C18H17ClN4O2 — CID 3068960

IUPACN'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide
SMILESCC(=O)NNC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O
InChIInChI=1S/C18H17ClN4O2/c1-11(24)21-22-17-18(25)23(2)15-9-8-13(19)10-14(15)16(20-17)12-6-4-3-5-7-12/h3-10,17,22H,1-2H3,(H,21,24)
InChIKeyKSUJUNBPNGAMPZ-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.12
Rot. Bonds3

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

N'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide (PubChem CID 3068960) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide
PubChem CID3068960
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide
SMILESCC(=O)NNC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O
InChIInChI=1S/C18H17ClN4O2/c1-11(24)21-22-17-18(25)23(2)15-9-8-13(19)10-14(15)16(20-17)12-6-4-3-5-7-12/h3-10,17,22H,1-2H3,(H,21,24)
InChIKeyKSUJUNBPNGAMPZ-UHFFFAOYSA-N
XLogP2.12
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.12
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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Related Compounds

Diazepam
CID 3016
Nordiazepam
CID 2997
Flurazepam
CID 3393
Ro 5-4864
CID 1688
Prazepam
CID 4890
Halazepam
CID 31640
Pinazepam
CID 40391
Fludiazepam
CID 3369
Flurazepam Hydrochloride
CID 14434
Tetrazepam
CID 25215
Chlorodiazepam
CID 76168
Flurazepam Monohydrochloride
CID 37368

Frequently Asked Questions

What is the IUPAC name of N'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide?
The IUPAC name of N'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide (CID 3068960) is N'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide.
What is the SMILES notation for N'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide?
The canonical SMILES for N'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide is CC(=O)NNC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O.
What is the InChIKey of N'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide?
The InChIKey is KSUJUNBPNGAMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11(24)21-22-17-18(25)23(2)15-9-8-13(19)10-14(15)16(20-17)12-6-4-3-5-7-12/h3-10,17,22H,1-2H3,(H,21,24).
What are the key properties of N'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide?
N'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide has a molecular weight of 356.81 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide is sourced from PubChem (CID 3068960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).