[(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine

C18H21FN4 — CID 145241433

IUPAC[(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine
SMILESNN/C(CF)=C1\NCCN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C18H21FN4/c19-12-16(22-20)18-15-8-4-5-9-17(15)23(11-10-21-18)13-14-6-2-1-3-7-14/h1-9,21-22H,10-13,20H2/b18-16-
InChIKeyJRCPOKRAGZXFJQ-VLGSPTGOSA-N
MW312.39 g/mol
LogP2.40
Rot. Bonds4

About [(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine

[(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine (PubChem CID 145241433) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is [(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine.

Molecular Properties

Compound Name[(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine
PubChem CID145241433
Molecular FormulaC18H21FN4
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Name[(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine
SMILESNN/C(CF)=C1\NCCN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C18H21FN4/c19-12-16(22-20)18-15-8-4-5-9-17(15)23(11-10-21-18)13-14-6-2-1-3-7-14/h1-9,21-22H,10-13,20H2/b18-16-
InChIKeyJRCPOKRAGZXFJQ-VLGSPTGOSA-N
XLogP2.40
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine?
The IUPAC name of [(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine (CID 145241433) is [(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine.
What is the SMILES notation for [(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine?
The canonical SMILES for [(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine is NN/C(CF)=C1\NCCN(Cc2ccccc2)c2ccccc21.
What is the InChIKey of [(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine?
The InChIKey is JRCPOKRAGZXFJQ-VLGSPTGOSA-N. The full InChI is InChI=1S/C18H21FN4/c19-12-16(22-20)18-15-8-4-5-9-17(15)23(11-10-21-18)13-14-6-2-1-3-7-14/h1-9,21-22H,10-13,20H2/b18-16-.
What are the key properties of [(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine?
[(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine has a molecular weight of 312.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-(1-benzyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)-2-fluoroethyl]hydrazine is sourced from PubChem (CID 145241433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).