[(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine

C18H18ClFN4O — CID 143211386

IUPAC[(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine
SMILESCOc1cc2c(cc1F)C(c1ccccc1Cl)=N/C(=C(\C)NN)CN2
InChIInChI=1S/C18H18ClFN4O/c1-10(24-21)16-9-22-15-8-17(25-2)14(20)7-12(15)18(23-16)11-5-3-4-6-13(11)19/h3-8,22,24H,9,21H2,1-2H3/b16-10+
InChIKeyXCZLYTPBURHYSQ-MHWRWJLKSA-N
MW360.82 g/mol
LogP3.45
Rot. Bonds3

About [(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine

[(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine (PubChem CID 143211386) has the molecular formula C18H18ClFN4O and a molecular weight of 360.82 g/mol. Its IUPAC name is [(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine.

Molecular Properties

Compound Name[(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine
PubChem CID143211386
Molecular FormulaC18H18ClFN4O
Molecular Weight360.82 g/mol
Exact Mass360.12
IUPAC Name[(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine
SMILESCOc1cc2c(cc1F)C(c1ccccc1Cl)=N/C(=C(\C)NN)CN2
InChIInChI=1S/C18H18ClFN4O/c1-10(24-21)16-9-22-15-8-17(25-2)14(20)7-12(15)18(23-16)11-5-3-4-6-13(11)19/h3-8,22,24H,9,21H2,1-2H3/b16-10+
InChIKeyXCZLYTPBURHYSQ-MHWRWJLKSA-N
XLogP3.45
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 135398512
7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine
CID 142688270
(3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine
CID 143847590
aminourea;1-[5-(2-chlorophenyl)-7-fluoro-2,8-dimethoxy-3H-1,4-benzodiazepin-3-yl]ethanone;[(E)-1-[5-(2-chlorophenyl)-7-fluoro-2,8-dimethoxy-3H-1,4-benzodiazepin-3-yl]ethylideneamino]urea;hydrochloride
CID 172955544
2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600005
5-(2-chlorophenyl)-7-fluoro-8-propan-2-yloxy-2,3-dihydro-1H-1,4-benzodiazepine-2-carbothialdehyde
CID 175253557
1-[5-(2-chlorophenyl)-8-ethoxy-7-fluoro-2-methylsulfanyl-1,4-benzodiazepin-3-ylidene]-N,N-dimethylethanamine
CID 71016681
5-(2-chlorophenyl)-7-fluoro-8-propoxy-2,3-dihydro-1H-1,4-benzodiazepine-2-carbothialdehyde
CID 175253555
3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene
CID 174993778
2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline
CID 171921707
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 86834917
5-(2-chlorophenyl)-8-methoxy-2-methylsulfanyl-3-propan-2-ylidene-1,4-benzodiazepine-7-carbonitrile
CID 143211321

Frequently Asked Questions

What is the IUPAC name of [(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine?
The IUPAC name of [(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine (CID 143211386) is [(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine.
What is the SMILES notation for [(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine?
The canonical SMILES for [(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine is COc1cc2c(cc1F)C(c1ccccc1Cl)=N/C(=C(\C)NN)CN2.
What is the InChIKey of [(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine?
The InChIKey is XCZLYTPBURHYSQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H18ClFN4O/c1-10(24-21)16-9-22-15-8-17(25-2)14(20)7-12(15)18(23-16)11-5-3-4-6-13(11)19/h3-8,22,24H,9,21H2,1-2H3/b16-10+.
What are the key properties of [(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine?
[(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine has a molecular weight of 360.82 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine is sourced from PubChem (CID 143211386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).