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

C14H9BrFN3O4 — CID 9333738

IUPAC5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cc(Br)ccc1F)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9BrFN3O4/c15-9-4-5-12(16)11(7-9)14(21)18-17-13(20)8-2-1-3-10(6-8)19(22)23/h1-7H,(H,17,20)(H,18,21)
InChIKeyPBCNTSULGGBGNK-UHFFFAOYSA-N
MW382.15 g/mol
LogP2.57
Rot. Bonds3

About 5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide

5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide (PubChem CID 9333738) has the molecular formula C14H9BrFN3O4 and a molecular weight of 382.15 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide
PubChem CID9333738
Molecular FormulaC14H9BrFN3O4
Molecular Weight382.15 g/mol
Exact Mass380.98
IUPAC Name5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cc(Br)ccc1F)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9BrFN3O4/c15-9-4-5-12(16)11(7-9)14(21)18-17-13(20)8-2-1-3-10(6-8)19(22)23/h1-7H,(H,17,20)(H,18,21)
InChIKeyPBCNTSULGGBGNK-UHFFFAOYSA-N
XLogP2.57
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.15
LogP ≤ 52.57
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

5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
CID 9410966
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide
CID 24640858
5-bromo-2-methoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide
CID 17094668
N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide
CID 78774211
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N'-acetyl-2-fluoro-5-nitrobenzohydrazide
CID 61216707
N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536031
N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide
CID 1313410
N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide
CID 16558931
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide
CID 55752300

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide?
The IUPAC name of 5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide (CID 9333738) is 5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide is O=C(NNC(=O)c1cc(Br)ccc1F)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide?
The InChIKey is PBCNTSULGGBGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O4/c15-9-4-5-12(16)11(7-9)14(21)18-17-13(20)8-2-1-3-10(6-8)19(22)23/h1-7H,(H,17,20)(H,18,21).
What are the key properties of 5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide?
5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide has a molecular weight of 382.15 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 9333738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).