N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide

C14H11N3O5 — CID 3351512

IUPACN'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
SMILESO=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1
InChIInChI=1S/C14H11N3O5/c18-12-7-6-10(17(21)22)8-11(12)14(20)16-15-13(19)9-4-2-1-3-5-9/h1-8,18H,(H,15,19)(H,16,20)
InChIKeyDRKMYAKEMNNBPY-UHFFFAOYSA-N
MW301.26 g/mol
LogP1.38
Rot. Bonds3

About N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide

N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide (PubChem CID 3351512) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
PubChem CID3351512
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC NameN'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
SMILESO=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1
InChIInChI=1S/C14H11N3O5/c18-12-7-6-10(17(21)22)8-11(12)14(20)16-15-13(19)9-4-2-1-3-5-9/h1-8,18H,(H,15,19)(H,16,20)
InChIKeyDRKMYAKEMNNBPY-UHFFFAOYSA-N
XLogP1.38
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide
CID 72707126
N'-acetyl-2-hydroxy-5-nitrobenzohydrazide
CID 102383620
N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
CID 9279009
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 3126530
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
[3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone
CID 166446115
2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid
CID 151467946
N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide
CID 4508937
N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
CID 15547621
2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide
CID 27662653

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide?
The IUPAC name of N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide (CID 3351512) is N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide.
What is the SMILES notation for N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide?
The canonical SMILES for N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide is O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1.
What is the InChIKey of N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide?
The InChIKey is DRKMYAKEMNNBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5/c18-12-7-6-10(17(21)22)8-11(12)14(20)16-15-13(19)9-4-2-1-3-5-9/h1-8,18H,(H,15,19)(H,16,20).
What are the key properties of N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide?
N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide has a molecular weight of 301.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide is sourced from PubChem (CID 3351512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).