2,5-dichlorobenzene-1,4-dicarbohydrazide

C8H8Cl2N4O2 — CID 124926031

IUPAC2,5-dichlorobenzene-1,4-dicarbohydrazide
SMILESNNC(=O)c1cc(Cl)c(C(=O)NN)cc1Cl
InChIInChI=1S/C8H8Cl2N4O2/c9-5-1-3(7(15)13-11)6(10)2-4(5)8(16)14-12/h1-2H,11-12H2,(H,13,15)(H,14,16)
InChIKeyFRSGRHHCUVMLKY-UHFFFAOYSA-N
MW263.08 g/mol
LogP0.20
Rot. Bonds2

About 2,5-dichlorobenzene-1,4-dicarbohydrazide

2,5-dichlorobenzene-1,4-dicarbohydrazide (PubChem CID 124926031) has the molecular formula C8H8Cl2N4O2 and a molecular weight of 263.08 g/mol. Its IUPAC name is 2,5-dichlorobenzene-1,4-dicarbohydrazide.

Molecular Properties

Compound Name2,5-dichlorobenzene-1,4-dicarbohydrazide
PubChem CID124926031
Molecular FormulaC8H8Cl2N4O2
Molecular Weight263.08 g/mol
Exact Mass262.00
IUPAC Name2,5-dichlorobenzene-1,4-dicarbohydrazide
SMILESNNC(=O)c1cc(Cl)c(C(=O)NN)cc1Cl
InChIInChI=1S/C8H8Cl2N4O2/c9-5-1-3(7(15)13-11)6(10)2-4(5)8(16)14-12/h1-2H,11-12H2,(H,13,15)(H,14,16)
InChIKeyFRSGRHHCUVMLKY-UHFFFAOYSA-N
XLogP0.20
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 59092222
[4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid
CID 130058696
2-chloro-4-cyanobenzohydrazide
CID 130952526
2-chloro-4-propylbenzohydrazide
CID 138958414
3,5-dichloro-2-(methylamino)benzohydrazide
CID 43828814
3-chloro-2-hydroxybenzohydrazide;hydrochloride
CID 130771033
8-chloronaphthalene-1-carbohydrazide
CID 176640638
4-bromo-3,5-dichlorobenzohydrazide
CID 169499880
3,5-dichlorobenzohydrazide
CID 2735966
methyl 2-chloro-4-(hydrazinecarbonyl)benzoate
CID 67050317
2-chloro-6-(hydrazinecarbonyl)benzoic acid
CID 169146533
2-chloro-3-hydroxybenzohydrazide
CID 59092296

Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorobenzene-1,4-dicarbohydrazide?
The IUPAC name of 2,5-dichlorobenzene-1,4-dicarbohydrazide (CID 124926031) is 2,5-dichlorobenzene-1,4-dicarbohydrazide.
What is the SMILES notation for 2,5-dichlorobenzene-1,4-dicarbohydrazide?
The canonical SMILES for 2,5-dichlorobenzene-1,4-dicarbohydrazide is NNC(=O)c1cc(Cl)c(C(=O)NN)cc1Cl.
What is the InChIKey of 2,5-dichlorobenzene-1,4-dicarbohydrazide?
The InChIKey is FRSGRHHCUVMLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4O2/c9-5-1-3(7(15)13-11)6(10)2-4(5)8(16)14-12/h1-2H,11-12H2,(H,13,15)(H,14,16).
What are the key properties of 2,5-dichlorobenzene-1,4-dicarbohydrazide?
2,5-dichlorobenzene-1,4-dicarbohydrazide has a molecular weight of 263.08 g/mol, XLogP of 0.20, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorobenzene-1,4-dicarbohydrazide is sourced from PubChem (CID 124926031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).