4-chloro-N'-(3H-inden-1-yl)benzohydrazide

C16H13ClN2O — CID 4227441

IUPAC4-chloro-N'-(3H-inden-1-yl)benzohydrazide
SMILESO=C(NNC1=CCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c17-13-8-5-12(6-9-13)16(20)19-18-15-10-7-11-3-1-2-4-14(11)15/h1-6,8-10,18H,7H2,(H,19,20)
InChIKeyYLJCGZXYXHAYIN-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.17
Rot. Bonds3

About 4-chloro-N'-(3H-inden-1-yl)benzohydrazide

4-chloro-N'-(3H-inden-1-yl)benzohydrazide (PubChem CID 4227441) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-N'-(3H-inden-1-yl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(3H-inden-1-yl)benzohydrazide
PubChem CID4227441
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-chloro-N'-(3H-inden-1-yl)benzohydrazide
SMILESO=C(NNC1=CCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c17-13-8-5-12(6-9-13)16(20)19-18-15-10-7-11-3-1-2-4-14(11)15/h1-6,8-10,18H,7H2,(H,19,20)
InChIKeyYLJCGZXYXHAYIN-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-chloro-N'-(3H-inden-1-yl)benzohydrazide?
The IUPAC name of 4-chloro-N'-(3H-inden-1-yl)benzohydrazide (CID 4227441) is 4-chloro-N'-(3H-inden-1-yl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-(3H-inden-1-yl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-(3H-inden-1-yl)benzohydrazide is O=C(NNC1=CCc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(3H-inden-1-yl)benzohydrazide?
The InChIKey is YLJCGZXYXHAYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-13-8-5-12(6-9-13)16(20)19-18-15-10-7-11-3-1-2-4-14(11)15/h1-6,8-10,18H,7H2,(H,19,20).
What are the key properties of 4-chloro-N'-(3H-inden-1-yl)benzohydrazide?
4-chloro-N'-(3H-inden-1-yl)benzohydrazide has a molecular weight of 284.75 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(3H-inden-1-yl)benzohydrazide is sourced from PubChem (CID 4227441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).