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

C14H9Cl2N3O4 — CID 4507508

IUPAC2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N3O4/c15-8-5-6-9(11(16)7-8)13(20)17-18-14(21)10-3-1-2-4-12(10)19(22)23/h1-7H,(H,17,20)(H,18,21)
InChIKeyASPCYKPBOGODEV-UHFFFAOYSA-N
MW354.15 g/mol
LogP2.98
Rot. Bonds3

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

2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide (PubChem CID 4507508) has the molecular formula C14H9Cl2N3O4 and a molecular weight of 354.15 g/mol. Its IUPAC name is 2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
PubChem CID4507508
Molecular FormulaC14H9Cl2N3O4
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N3O4/c15-8-5-6-9(11(16)7-8)13(20)17-18-14(21)10-3-1-2-4-12(10)19(22)23/h1-7H,(H,17,20)(H,18,21)
InChIKeyASPCYKPBOGODEV-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

2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 9206008
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3591876
4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
CID 45436116
[(2-nitrobenzoyl)amino]urea
CID 61061190
2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide
CID 774246
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-nitrobenzohydrazide
CID 17195557
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
N'-acetyl-5-chloro-2-nitrobenzohydrazide
CID 60631017
4-(2,4-dichlorophenoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]butanamide
CID 4500960
N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide
CID 30145216
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide?
The IUPAC name of 2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide (CID 4507508) is 2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide is O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide?
The InChIKey is ASPCYKPBOGODEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O4/c15-8-5-6-9(11(16)7-8)13(20)17-18-14(21)10-3-1-2-4-12(10)19(22)23/h1-7H,(H,17,20)(H,18,21).
What are the key properties of 2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide?
2,4-dichloro-N'-(2-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'-(2-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 4507508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).