N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide

C17H14Cl2N4O — CID 628631

IUPACN'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide
SMILESCC(=O)NNC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1
InChIInChI=1S/C17H14Cl2N4O/c1-10(24)22-23-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)21-16/h2-8H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyZNTCRVRFRFXCFJ-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.52
Rot. Bonds1

About N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide

N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide (PubChem CID 628631) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide
PubChem CID628631
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC NameN'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide
SMILESCC(=O)NNC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1
InChIInChI=1S/C17H14Cl2N4O/c1-10(24)22-23-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)21-16/h2-8H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyZNTCRVRFRFXCFJ-UHFFFAOYSA-N
XLogP3.52
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide?
The IUPAC name of N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide (CID 628631) is N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide.
What is the SMILES notation for N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide?
The canonical SMILES for N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide is CC(=O)NNC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1.
What is the InChIKey of N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide?
The InChIKey is ZNTCRVRFRFXCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-10(24)22-23-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)21-16/h2-8H,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide?
N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide has a molecular weight of 361.23 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide is sourced from PubChem (CID 628631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).