3,5-dichloro-2-(methylamino)benzohydrazide

C8H9Cl2N3O — CID 43828814

IUPAC3,5-dichloro-2-(methylamino)benzohydrazide
SMILESCNc1c(Cl)cc(Cl)cc1C(=O)NN
InChIInChI=1S/C8H9Cl2N3O/c1-12-7-5(8(14)13-11)2-4(9)3-6(7)10/h2-3,12H,11H2,1H3,(H,13,14)
InChIKeyKBJDESFWTIXMFL-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.64
Rot. Bonds2

About 3,5-dichloro-2-(methylamino)benzohydrazide

3,5-dichloro-2-(methylamino)benzohydrazide (PubChem CID 43828814) has the molecular formula C8H9Cl2N3O and a molecular weight of 234.09 g/mol. Its IUPAC name is 3,5-dichloro-2-(methylamino)benzohydrazide.

Molecular Properties

Compound Name3,5-dichloro-2-(methylamino)benzohydrazide
PubChem CID43828814
Molecular FormulaC8H9Cl2N3O
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name3,5-dichloro-2-(methylamino)benzohydrazide
SMILESCNc1c(Cl)cc(Cl)cc1C(=O)NN
InChIInChI=1S/C8H9Cl2N3O/c1-12-7-5(8(14)13-11)2-4(9)3-6(7)10/h2-3,12H,11H2,1H3,(H,13,14)
InChIKeyKBJDESFWTIXMFL-UHFFFAOYSA-N
XLogP1.64
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3,5-dichloro-N-ethyl-N-methyl-2-(methylamino)benzamide
CID 155666950
2,5-dichlorobenzene-1,4-dicarbohydrazide
CID 124926031
3,5-dichloro-N,2-dimethylbenzamide
CID 143932628
3,5-dichlorobenzohydrazide
CID 2735966
N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide
CID 66855812
2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 62510533
2-chloro-4-propylbenzohydrazide
CID 138958414
[4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid
CID 130058696
2-amino-3,5-dichloro-N-(2,6-dimethylphenyl)benzamide
CID 1479317
2-butoxy-5-chlorobenzohydrazide
CID 54795706
3,5-dichloro-2-[(4-ethoxy-4-oxobutanoyl)amino]benzoic acid
CID 43360203
2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide
CID 61093960

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(methylamino)benzohydrazide?
The IUPAC name of 3,5-dichloro-2-(methylamino)benzohydrazide (CID 43828814) is 3,5-dichloro-2-(methylamino)benzohydrazide.
What is the SMILES notation for 3,5-dichloro-2-(methylamino)benzohydrazide?
The canonical SMILES for 3,5-dichloro-2-(methylamino)benzohydrazide is CNc1c(Cl)cc(Cl)cc1C(=O)NN.
What is the InChIKey of 3,5-dichloro-2-(methylamino)benzohydrazide?
The InChIKey is KBJDESFWTIXMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O/c1-12-7-5(8(14)13-11)2-4(9)3-6(7)10/h2-3,12H,11H2,1H3,(H,13,14).
What are the key properties of 3,5-dichloro-2-(methylamino)benzohydrazide?
3,5-dichloro-2-(methylamino)benzohydrazide has a molecular weight of 234.09 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(methylamino)benzohydrazide is sourced from PubChem (CID 43828814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).