2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide

C15H9Cl2N3O2 — CID 7910683

IUPAC2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide
SMILESN#Cc1cccc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H9Cl2N3O2/c16-11-4-5-13(17)12(7-11)15(22)20-19-14(21)10-3-1-2-9(6-10)8-18/h1-7H,(H,19,21)(H,20,22)
InChIKeyNBUUPCVAUQDJNQ-UHFFFAOYSA-N
MW334.16 g/mol
LogP2.94
Rot. Bonds2

About 2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide

2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide (PubChem CID 7910683) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide
PubChem CID7910683
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC Name2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide
SMILESN#Cc1cccc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H9Cl2N3O2/c16-11-4-5-13(17)12(7-11)15(22)20-19-14(21)10-3-1-2-9(6-10)8-18/h1-7H,(H,19,21)(H,20,22)
InChIKeyNBUUPCVAUQDJNQ-UHFFFAOYSA-N
XLogP2.94
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide
CID 7916431
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572
3-cyano-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 4822223
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide
CID 30144291
2,5-dichloro-N'-(4-phenylbenzoyl)benzohydrazide
CID 4789053
N'-(3-cyanobenzoyl)thiophene-2-carbohydrazide
CID 7979408
N'-(3-cyanobenzoyl)furan-2-carbohydrazide
CID 9477248
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide?
The IUPAC name of 2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide (CID 7910683) is 2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide.
What is the SMILES notation for 2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide?
The canonical SMILES for 2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide is N#Cc1cccc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide?
The InChIKey is NBUUPCVAUQDJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-11-4-5-13(17)12(7-11)15(22)20-19-14(21)10-3-1-2-9(6-10)8-18/h1-7H,(H,19,21)(H,20,22).
What are the key properties of 2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide?
2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide has a molecular weight of 334.16 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide is sourced from PubChem (CID 7910683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).