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

C13H8Cl3N3O3 — CID 3099153

IUPAC3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide
SMILESO=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H8Cl3N3O3/c14-8-5-10(15)12(11(16)6-8)17-18-13(20)7-2-1-3-9(4-7)19(21)22/h1-6,17H,(H,18,20)
InChIKeyAWRCFPCUTJOIKR-UHFFFAOYSA-N
MW360.58 g/mol
LogP4.31
Rot. Bonds4

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

3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide (PubChem CID 3099153) has the molecular formula C13H8Cl3N3O3 and a molecular weight of 360.58 g/mol. Its IUPAC name is 3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide.

Molecular Properties

Compound Name3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide
PubChem CID3099153
Molecular FormulaC13H8Cl3N3O3
Molecular Weight360.58 g/mol
Exact Mass358.96
IUPAC Name3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide
SMILESO=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H8Cl3N3O3/c14-8-5-10(15)12(11(16)6-8)17-18-13(20)7-2-1-3-9(4-7)19(21)22/h1-6,17H,(H,18,20)
InChIKeyAWRCFPCUTJOIKR-UHFFFAOYSA-N
XLogP4.31
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzoic acid, 2-(p-chlorophenyl)hydrazide
CID 28566
Benzoic acid, p-chloro-, 2-(p-chlorophenyl)hydrazide
CID 37486
N'-(2,6-dichlorophenyl)-4-methylbenzohydrazide
CID 127031947
4-Chlorobenzoic N2-(4-nitrophenyl)hydrazide
CID 3106534
Benzoic acid, o-chloro-, 2-(p-chlorophenyl)hydrazide
CID 41196
2-chloro-N'-(4-nitrophenyl)benzohydrazide
CID 3109024
N'-[(4-chlorophenyl)carbonyl]-2-nitrobenzohydrazide
CID 5234790
2-chloro-5-nitro-N',N'-diphenylbenzohydrazide
CID 14956446
N'-(2,6-dichlorophenyl)benzohydrazide
CID 2812892
2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide
CID 9163671
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
Benzamide, 2-chloro-5-nitro-N-1-piperidinyl-
CID 9270999

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide?
The IUPAC name of 3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide (CID 3099153) is 3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide.
What is the SMILES notation for 3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide?
The canonical SMILES for 3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide is O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide?
The InChIKey is AWRCFPCUTJOIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3O3/c14-8-5-10(15)12(11(16)6-8)17-18-13(20)7-2-1-3-9(4-7)19(21)22/h1-6,17H,(H,18,20).
What are the key properties of 3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide?
3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide has a molecular weight of 360.58 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide is sourced from PubChem (CID 3099153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).