2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide

C13H8Cl4N2O — CID 3981550

IUPAC2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide
SMILESO=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C13H8Cl4N2O/c14-7-5-10(16)12(11(17)6-7)18-19-13(20)8-3-1-2-4-9(8)15/h1-6,18H,(H,19,20)
InChIKeyGVYZGCCHLQWVCB-UHFFFAOYSA-N
MW350.03 g/mol
LogP5.06
Rot. Bonds3

About 2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide

2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide (PubChem CID 3981550) has the molecular formula C13H8Cl4N2O and a molecular weight of 350.03 g/mol. Its IUPAC name is 2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide
PubChem CID3981550
Molecular FormulaC13H8Cl4N2O
Molecular Weight350.03 g/mol
Exact Mass347.94
IUPAC Name2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide
SMILESO=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C13H8Cl4N2O/c14-7-5-10(16)12(11(17)6-7)18-19-13(20)8-3-1-2-4-9(8)15/h1-6,18H,(H,19,20)
InChIKeyGVYZGCCHLQWVCB-UHFFFAOYSA-N
XLogP5.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.03
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 134062108
2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide
CID 2798573
4-[(2,4,6-trichloroanilino)carbamoyl]benzamide
CID 30859138
N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 47099649
N'-(4-aminophenyl)-2-chlorobenzohydrazide
CID 21427839
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 794857
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide
CID 47365771
4-(methoxymethyl)-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 30859143
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide?
The IUPAC name of 2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide (CID 3981550) is 2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide.
What is the SMILES notation for 2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide?
The canonical SMILES for 2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide is O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide?
The InChIKey is GVYZGCCHLQWVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4N2O/c14-7-5-10(16)12(11(17)6-7)18-19-13(20)8-3-1-2-4-9(8)15/h1-6,18H,(H,19,20).
What are the key properties of 2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide?
2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide has a molecular weight of 350.03 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide is sourced from PubChem (CID 3981550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).