2-amino-6-chlorobenzohydrazide;ethane

C9H14ClN3O — CID 145125015

IUPAC2-amino-6-chlorobenzohydrazide;ethane
SMILESCC.NNC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C7H8ClN3O.C2H6/c8-4-2-1-3-5(9)6(4)7(12)11-10;1-2/h1-3H,9-10H2,(H,11,12);1-2H3
InChIKeyXZQFXPHDCORQQK-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.55
Rot. Bonds1

About 2-amino-6-chlorobenzohydrazide;ethane

2-amino-6-chlorobenzohydrazide;ethane (PubChem CID 145125015) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-amino-6-chlorobenzohydrazide;ethane.

Molecular Properties

Compound Name2-amino-6-chlorobenzohydrazide;ethane
PubChem CID145125015
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-amino-6-chlorobenzohydrazide;ethane
SMILESCC.NNC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C7H8ClN3O.C2H6/c8-4-2-1-3-5(9)6(4)7(12)11-10;1-2/h1-3H,9-10H2,(H,11,12);1-2H3
InChIKeyXZQFXPHDCORQQK-UHFFFAOYSA-N
XLogP1.55
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-6-methylbenzohydrazide;ethane
CID 145125009
2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 114176666
2-amino-6-chloro-N-prop-2-enylbenzamide
CID 63658592
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 63660422
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
acetic acid;2-amino-6-chlorobenzoic acid
CID 175066849
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide
CID 106233283
2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 63660396
2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 63659820
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide
CID 106343673

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chlorobenzohydrazide;ethane?
The IUPAC name of 2-amino-6-chlorobenzohydrazide;ethane (CID 145125015) is 2-amino-6-chlorobenzohydrazide;ethane.
What is the SMILES notation for 2-amino-6-chlorobenzohydrazide;ethane?
The canonical SMILES for 2-amino-6-chlorobenzohydrazide;ethane is CC.NNC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chlorobenzohydrazide;ethane?
The InChIKey is XZQFXPHDCORQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O.C2H6/c8-4-2-1-3-5(9)6(4)7(12)11-10;1-2/h1-3H,9-10H2,(H,11,12);1-2H3.
What are the key properties of 2-amino-6-chlorobenzohydrazide;ethane?
2-amino-6-chlorobenzohydrazide;ethane has a molecular weight of 215.68 g/mol, XLogP of 1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chlorobenzohydrazide;ethane is sourced from PubChem (CID 145125015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).