N'-(2-bromopropanoyl)-3-nitrobenzohydrazide

C10H10BrN3O4 — CID 3797916

IUPACN'-(2-bromopropanoyl)-3-nitrobenzohydrazide
SMILESCC(Br)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10BrN3O4/c1-6(11)9(15)12-13-10(16)7-3-2-4-8(5-7)14(17)18/h2-6H,1H3,(H,12,15)(H,13,16)
InChIKeySJOARPCFIJWKOG-UHFFFAOYSA-N
MW316.11 g/mol
LogP1.14
Rot. Bonds3

About N'-(2-bromopropanoyl)-3-nitrobenzohydrazide

N'-(2-bromopropanoyl)-3-nitrobenzohydrazide (PubChem CID 3797916) has the molecular formula C10H10BrN3O4 and a molecular weight of 316.11 g/mol. Its IUPAC name is N'-(2-bromopropanoyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(2-bromopropanoyl)-3-nitrobenzohydrazide
PubChem CID3797916
Molecular FormulaC10H10BrN3O4
Molecular Weight316.11 g/mol
Exact Mass314.99
IUPAC NameN'-(2-bromopropanoyl)-3-nitrobenzohydrazide
SMILESCC(Br)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10BrN3O4/c1-6(11)9(15)12-13-10(16)7-3-2-4-8(5-7)14(17)18/h2-6H,1H3,(H,12,15)(H,13,16)
InChIKeySJOARPCFIJWKOG-UHFFFAOYSA-N
XLogP1.14
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9333588
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9297964
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4932285
N'-[(2S)-2-(4-tert-butylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 8573555
4-fluoro-N-[3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 18275153
N'-[2-(2,5-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4945052
N'-(3-methylbut-2-enoyl)-3-nitrobenzohydrazide
CID 47101061
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide
CID 3548289
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromopropanoyl)-3-nitrobenzohydrazide?
The IUPAC name of N'-(2-bromopropanoyl)-3-nitrobenzohydrazide (CID 3797916) is N'-(2-bromopropanoyl)-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(2-bromopropanoyl)-3-nitrobenzohydrazide?
The canonical SMILES for N'-(2-bromopropanoyl)-3-nitrobenzohydrazide is CC(Br)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-(2-bromopropanoyl)-3-nitrobenzohydrazide?
The InChIKey is SJOARPCFIJWKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O4/c1-6(11)9(15)12-13-10(16)7-3-2-4-8(5-7)14(17)18/h2-6H,1H3,(H,12,15)(H,13,16).
What are the key properties of N'-(2-bromopropanoyl)-3-nitrobenzohydrazide?
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide has a molecular weight of 316.11 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromopropanoyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 3797916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).