2-bromo-N'-(3-nitrobenzoyl)benzohydrazide

C14H10BrN3O4 — CID 3817940

IUPAC2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10BrN3O4/c15-12-7-2-1-6-11(12)14(20)17-16-13(19)9-4-3-5-10(8-9)18(21)22/h1-8H,(H,16,19)(H,17,20)
InChIKeyJUMHKIXNBWTTFJ-UHFFFAOYSA-N
MW364.16 g/mol
LogP2.43
Rot. Bonds3

About 2-bromo-N'-(3-nitrobenzoyl)benzohydrazide

2-bromo-N'-(3-nitrobenzoyl)benzohydrazide (PubChem CID 3817940) has the molecular formula C14H10BrN3O4 and a molecular weight of 364.16 g/mol. Its IUPAC name is 2-bromo-N'-(3-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
PubChem CID3817940
Molecular FormulaC14H10BrN3O4
Molecular Weight364.16 g/mol
Exact Mass362.99
IUPAC Name2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10BrN3O4/c15-12-7-2-1-6-11(12)14(20)17-16-13(19)9-4-3-5-10(8-9)18(21)22/h1-8H,(H,16,19)(H,17,20)
InChIKeyJUMHKIXNBWTTFJ-UHFFFAOYSA-N
XLogP2.43
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.16
LogP ≤ 52.43
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-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide
CID 9081549
5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide
CID 9333738
2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide
CID 27662653
3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide
CID 4654337
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea
CID 47131760
N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide
CID 4508937
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
[[amino-(3-nitrophenyl)methylidene]amino] 2-bromobenzoate
CID 2841936
2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide
CID 4942335
N'-(3-methylbut-2-enoyl)-3-nitrobenzohydrazide
CID 47101061

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-(3-nitrobenzoyl)benzohydrazide?
The IUPAC name of 2-bromo-N'-(3-nitrobenzoyl)benzohydrazide (CID 3817940) is 2-bromo-N'-(3-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 2-bromo-N'-(3-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 2-bromo-N'-(3-nitrobenzoyl)benzohydrazide is O=C(NNC(=O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-bromo-N'-(3-nitrobenzoyl)benzohydrazide?
The InChIKey is JUMHKIXNBWTTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O4/c15-12-7-2-1-6-11(12)14(20)17-16-13(19)9-4-3-5-10(8-9)18(21)22/h1-8H,(H,16,19)(H,17,20).
What are the key properties of 2-bromo-N'-(3-nitrobenzoyl)benzohydrazide?
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide has a molecular weight of 364.16 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-(3-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 3817940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).