3-hydrazinylbenzamide;hydrochloride

C7H10ClN3O — CID 90487444

IUPAC3-hydrazinylbenzamide;hydrochloride
SMILESCl.NNc1cccc(C(N)=O)c1
InChIInChI=1S/C7H9N3O.ClH/c8-7(11)5-2-1-3-6(4-5)10-9;/h1-4,10H,9H2,(H2,8,11);1H
InChIKeyDFRKFVOTXZCNNX-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.49
Rot. Bonds2

About 3-hydrazinylbenzamide;hydrochloride

3-hydrazinylbenzamide;hydrochloride (PubChem CID 90487444) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 3-hydrazinylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-hydrazinylbenzamide;hydrochloride
PubChem CID90487444
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name3-hydrazinylbenzamide;hydrochloride
SMILESCl.NNc1cccc(C(N)=O)c1
InChIInChI=1S/C7H9N3O.ClH/c8-7(11)5-2-1-3-6(4-5)10-9;/h1-4,10H,9H2,(H2,8,11);1H
InChIKeyDFRKFVOTXZCNNX-UHFFFAOYSA-N
XLogP0.49
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-hydrazinylbenzoate;hydrochloride
CID 23285088
ethane;3-hydrazinylbenzoic acid
CID 142968377
3-(methylamino)benzamide
CID 18727714
ethane;3-(methylamino)benzamide
CID 142071023
3-(cyanoamino)benzamide
CID 19926828
3-(sulfamoylamino)benzamide
CID 57051238
3-(trifluoromethylamino)benzamide
CID 150882306
3-(methanesulfinamido)benzamide
CID 169217991
3-(carbamoylsulfinylamino)benzamide
CID 141122058
2-(3-hydrazinylphenyl)prop-2-en-1-ol
CID 118152190
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
3-carbamoylbenzoic acid
CID 3014284

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinylbenzamide;hydrochloride?
The IUPAC name of 3-hydrazinylbenzamide;hydrochloride (CID 90487444) is 3-hydrazinylbenzamide;hydrochloride.
What is the SMILES notation for 3-hydrazinylbenzamide;hydrochloride?
The canonical SMILES for 3-hydrazinylbenzamide;hydrochloride is Cl.NNc1cccc(C(N)=O)c1.
What is the InChIKey of 3-hydrazinylbenzamide;hydrochloride?
The InChIKey is DFRKFVOTXZCNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.ClH/c8-7(11)5-2-1-3-6(4-5)10-9;/h1-4,10H,9H2,(H2,8,11);1H.
What are the key properties of 3-hydrazinylbenzamide;hydrochloride?
3-hydrazinylbenzamide;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinylbenzamide;hydrochloride is sourced from PubChem (CID 90487444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).