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

C20H21ClN4O2 — CID 3068963

IUPACN'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(C)C(=O)NNC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
InChIInChI=1S/C20H21ClN4O2/c1-20(2,3)19(27)25-24-17-18(26)22-15-10-9-13(21)11-14(15)16(23-17)12-7-5-4-6-8-12/h4-11,17,24H,1-3H3,(H,22,26)(H,25,27)
InChIKeyMEKRZOBGTDEZJV-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.12
Rot. Bonds3

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

N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,2-dimethylpropanehydrazide (PubChem CID 3068963) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound NameN'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,2-dimethylpropanehydrazide
PubChem CID3068963
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(C)C(=O)NNC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
InChIInChI=1S/C20H21ClN4O2/c1-20(2,3)19(27)25-24-17-18(26)22-15-10-9-13(21)11-14(15)16(23-17)12-7-5-4-6-8-12/h4-11,17,24H,1-3H3,(H,22,26)(H,25,27)
InChIKeyMEKRZOBGTDEZJV-UHFFFAOYSA-N
XLogP3.12
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.12
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

Nordiazepam
CID 2997
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
Nordiazepam D5
CID 46781161
2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 4067095
7-chloro-5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one
CID 13336287

Frequently Asked Questions

What is the IUPAC name of N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,2-dimethylpropanehydrazide (CID 3068963) is N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,2-dimethylpropanehydrazide is CC(C)(C)C(=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)-2,2-dimethylpropanehydrazide?
The InChIKey is MEKRZOBGTDEZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-20(2,3)19(27)25-24-17-18(26)22-15-10-9-13(21)11-14(15)16(23-17)12-7-5-4-6-8-12/h4-11,17,24H,1-3H3,(H,22,26)(H,25,27).
What are the key properties of N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,2-dimethylpropanehydrazide?
N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 384.87 g/mol, XLogP of 3.12, 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)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 3068963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).