3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide

C14H11Cl3N2O2 — CID 794857

IUPAC3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide
SMILESCOc1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl3N2O2/c1-21-10-4-2-3-8(5-10)14(20)19-18-13-11(16)6-9(15)7-12(13)17/h2-7,18H,1H3,(H,19,20)
InChIKeyVUZGDHDGQPOCPW-UHFFFAOYSA-N
MW345.61 g/mol
LogP4.41
Rot. Bonds4

About 3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide

3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide (PubChem CID 794857) has the molecular formula C14H11Cl3N2O2 and a molecular weight of 345.61 g/mol. Its IUPAC name is 3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide
PubChem CID794857
Molecular FormulaC14H11Cl3N2O2
Molecular Weight345.61 g/mol
Exact Mass343.99
IUPAC Name3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide
SMILESCOc1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl3N2O2/c1-21-10-4-2-3-8(5-10)14(20)19-18-13-11(16)6-9(15)7-12(13)17/h2-7,18H,1H3,(H,19,20)
InChIKeyVUZGDHDGQPOCPW-UHFFFAOYSA-N
XLogP4.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.61
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 47099649
4-(methoxymethyl)-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 30859143
N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
CID 26591384
N'-(4-aminobenzoyl)-3-methoxybenzohydrazide
CID 684303
3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
CID 107046812
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 139078702
4-[(2,4,6-trichloroanilino)carbamoyl]benzamide
CID 30859138
1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide
CID 35556076
(E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide
CID 26591449
2-methoxy-N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 134062108
N'-(2-cyanoacetyl)-3-methoxybenzohydrazide
CID 3117668
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide?
The IUPAC name of 3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide (CID 794857) is 3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide.
What is the SMILES notation for 3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide?
The canonical SMILES for 3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide is COc1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide?
The InChIKey is VUZGDHDGQPOCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O2/c1-21-10-4-2-3-8(5-10)14(20)19-18-13-11(16)6-9(15)7-12(13)17/h2-7,18H,1H3,(H,19,20).
What are the key properties of 3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide?
3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide has a molecular weight of 345.61 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide is sourced from PubChem (CID 794857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).