[6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine

C16H13ClF2N4 — CID 162346287

IUPAC[6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine
SMILESCc1ccc2c(c1Cl)C(c1c(F)cccc1F)=NCC(NN)=N2
InChIInChI=1S/C16H13ClF2N4/c1-8-5-6-11-14(15(8)17)16(21-7-12(22-11)23-20)13-9(18)3-2-4-10(13)19/h2-6H,7,20H2,1H3,(H,22,23)
InChIKeyMFNOWNRVRPALGM-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.27
Rot. Bonds1

About [6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine

[6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine (PubChem CID 162346287) has the molecular formula C16H13ClF2N4 and a molecular weight of 334.76 g/mol. Its IUPAC name is [6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine.

Molecular Properties

Compound Name[6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine
PubChem CID162346287
Molecular FormulaC16H13ClF2N4
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC Name[6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine
SMILESCc1ccc2c(c1Cl)C(c1c(F)cccc1F)=NCC(NN)=N2
InChIInChI=1S/C16H13ClF2N4/c1-8-5-6-11-14(15(8)17)16(21-7-12(22-11)23-20)13-9(18)3-2-4-10(13)19/h2-6H,7,20H2,1H3,(H,22,23)
InChIKeyMFNOWNRVRPALGM-UHFFFAOYSA-N
XLogP3.27
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-(2,6-difluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 162346324
6-chloro-5-(2,6-difluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepine-2-thione
CID 162346251
[(3S)-7-bromo-6-chloro-5-(2,6-difluorophenyl)-3-ethyl-3H-1,4-benzodiazepin-2-yl]hydrazine
CID 162469168
[(3S)-6-bromo-7-chloro-5-(2,6-difluorophenyl)-3-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine
CID 162469211
3-chloro-1-fluoro-4-methyl-2-phenylbenzene
CID 166546525
7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine
CID 175560635
6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine
CID 54063746
7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine
CID 21265972
1-[7-chloro-6-(2,6-difluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]ethanone
CID 162346357
(2-chloro-3-fluorophenyl)hydrazine
CID 55280948
tert-butyl (2Z)-2-[[9-chloro-5-(2,6-difluorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]propanoate
CID 21441628
7-chloro-6-(2,6-difluorophenyl)-8-ethenyl-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 162346263

Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine?
The IUPAC name of [6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine (CID 162346287) is [6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine.
What is the SMILES notation for [6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine?
The canonical SMILES for [6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine is Cc1ccc2c(c1Cl)C(c1c(F)cccc1F)=NCC(NN)=N2.
What is the InChIKey of [6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine?
The InChIKey is MFNOWNRVRPALGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N4/c1-8-5-6-11-14(15(8)17)16(21-7-12(22-11)23-20)13-9(18)3-2-4-10(13)19/h2-6H,7,20H2,1H3,(H,22,23).
What are the key properties of [6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine?
[6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine has a molecular weight of 334.76 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-(2,6-difluorophenyl)-7-methyl-3H-1,4-benzodiazepin-2-yl]hydrazine is sourced from PubChem (CID 162346287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).