2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide

C14H9Cl2N3O4 — CID 3591876

IUPAC2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9Cl2N3O4/c15-9-3-6-11(12(16)7-9)14(21)18-17-13(20)8-1-4-10(5-2-8)19(22)23/h1-7H,(H,17,20)(H,18,21)
InChIKeyRREJBNQQNDQZTH-UHFFFAOYSA-N
MW354.15 g/mol
LogP2.98
Rot. Bonds3

About 2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide

2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide (PubChem CID 3591876) has the molecular formula C14H9Cl2N3O4 and a molecular weight of 354.15 g/mol. Its IUPAC name is 2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
PubChem CID3591876
Molecular FormulaC14H9Cl2N3O4
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9Cl2N3O4/c15-9-3-6-11(12(16)7-9)14(21)18-17-13(20)8-1-4-10(5-2-8)19(22)23/h1-7H,(H,17,20)(H,18,21)
InChIKeyRREJBNQQNDQZTH-UHFFFAOYSA-N
XLogP2.98
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 52.98
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

3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3339172
2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
CID 51289387
2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
CID 4507508
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785
N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 18229739
2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide
CID 17386817
N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide
CID 4508937
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-nitrobenzoate
CID 7859421
[2-(4-nitrophenyl)-2-oxoethyl] 4-[(2,4-dichlorobenzoyl)amino]benzoate
CID 1216559
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
2,4-dichloro-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 4952081
2,4-dichloro-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2744744

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide?
The IUPAC name of 2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide (CID 3591876) is 2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide is O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide?
The InChIKey is RREJBNQQNDQZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O4/c15-9-3-6-11(12(16)7-9)14(21)18-17-13(20)8-1-4-10(5-2-8)19(22)23/h1-7H,(H,17,20)(H,18,21).
What are the key properties of 2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide?
2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide has a molecular weight of 354.15 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 3591876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).