3-chlorobenzohydrazide;bis(formonitrile)

C9H9ClN4O — CID 175536479

IUPAC3-chlorobenzohydrazide;bis(formonitrile)
SMILESC#N.C#N.NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C7H7ClN2O.2CHN/c8-6-3-1-2-5(4-6)7(11)10-9;2*1-2/h1-4H,9H2,(H,10,11);2*1H
InChIKeyCZBDPWHIYWQBEK-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.22
Rot. Bonds1

About 3-chlorobenzohydrazide;bis(formonitrile)

3-chlorobenzohydrazide;bis(formonitrile) (PubChem CID 175536479) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 3-chlorobenzohydrazide;bis(formonitrile).

Molecular Properties

Compound Name3-chlorobenzohydrazide;bis(formonitrile)
PubChem CID175536479
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name3-chlorobenzohydrazide;bis(formonitrile)
SMILESC#N.C#N.NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C7H7ClN2O.2CHN/c8-6-3-1-2-5(4-6)7(11)10-9;2*1-2/h1-4H,9H2,(H,10,11);2*1H
InChIKeyCZBDPWHIYWQBEK-UHFFFAOYSA-N
XLogP1.22
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.22
H-Bond Donors ≤ 52
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

3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
3,5-dichlorobenzohydrazide
CID 2735966
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide
CID 65191606
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966
3-chloro-N-(3-oxobutanoyl)benzamide
CID 86030808
3-chloro-N-propan-2-ylbenzamide
CID 669184
ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
2-(3-chlorophenyl)-2-oxoethanesulfonic acid
CID 115040558
N-[2-[(2-aminoacetyl)amino]phenyl]-3-chlorobenzamide
CID 39184246
N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide
CID 114383601

Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzohydrazide;bis(formonitrile)?
The IUPAC name of 3-chlorobenzohydrazide;bis(formonitrile) (CID 175536479) is 3-chlorobenzohydrazide;bis(formonitrile).
What is the SMILES notation for 3-chlorobenzohydrazide;bis(formonitrile)?
The canonical SMILES for 3-chlorobenzohydrazide;bis(formonitrile) is C#N.C#N.NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chlorobenzohydrazide;bis(formonitrile)?
The InChIKey is CZBDPWHIYWQBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O.2CHN/c8-6-3-1-2-5(4-6)7(11)10-9;2*1-2/h1-4H,9H2,(H,10,11);2*1H.
What are the key properties of 3-chlorobenzohydrazide;bis(formonitrile)?
3-chlorobenzohydrazide;bis(formonitrile) has a molecular weight of 224.65 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzohydrazide;bis(formonitrile) is sourced from PubChem (CID 175536479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).