N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide

C16H12Cl4N2O2 — CID 57181125

IUPACN-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide
SMILESO=C(CCl)N(Cl)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl4N2O2/c17-9-15(23)22(20)21(10-11-4-2-1-3-5-11)16(24)12-6-13(18)8-14(19)7-12/h1-8H,9-10H2
InChIKeyAZNCMJPJQAKAOY-UHFFFAOYSA-N
MW406.10 g/mol
LogP4.77
Rot. Bonds4

About N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide

N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide (PubChem CID 57181125) has the molecular formula C16H12Cl4N2O2 and a molecular weight of 406.10 g/mol. Its IUPAC name is N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide.

Molecular Properties

Compound NameN-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide
PubChem CID57181125
Molecular FormulaC16H12Cl4N2O2
Molecular Weight406.10 g/mol
Exact Mass403.97
IUPAC NameN-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide
SMILESO=C(CCl)N(Cl)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl4N2O2/c17-9-15(23)22(20)21(10-11-4-2-1-3-5-11)16(24)12-6-13(18)8-14(19)7-12/h1-8H,9-10H2
InChIKeyAZNCMJPJQAKAOY-UHFFFAOYSA-N
XLogP4.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.10
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide?
The IUPAC name of N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide (CID 57181125) is N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide.
What is the SMILES notation for N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide?
The canonical SMILES for N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide is O=C(CCl)N(Cl)N(Cc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide?
The InChIKey is AZNCMJPJQAKAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl4N2O2/c17-9-15(23)22(20)21(10-11-4-2-1-3-5-11)16(24)12-6-13(18)8-14(19)7-12/h1-8H,9-10H2.
What are the key properties of N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide?
N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide has a molecular weight of 406.10 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide is sourced from PubChem (CID 57181125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).