N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide

C16H14BrN3O4 — CID 78774211

IUPACN'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide
SMILESO=C(CCc1cccc(Br)c1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14BrN3O4/c17-13-5-1-3-11(9-13)7-8-15(21)18-19-16(22)12-4-2-6-14(10-12)20(23)24/h1-6,9-10H,7-8H2,(H,18,21)(H,19,22)
InChIKeyGRRZZUNZQXVHJQ-UHFFFAOYSA-N
MW392.21 g/mol
LogP2.75
Rot. Bonds5

About N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide

N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide (PubChem CID 78774211) has the molecular formula C16H14BrN3O4 and a molecular weight of 392.21 g/mol. Its IUPAC name is N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide
PubChem CID78774211
Molecular FormulaC16H14BrN3O4
Molecular Weight392.21 g/mol
Exact Mass391.02
IUPAC NameN'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide
SMILESO=C(CCc1cccc(Br)c1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14BrN3O4/c17-13-5-1-3-11(9-13)7-8-15(21)18-19-16(22)12-4-2-6-14(10-12)20(23)24/h1-6,9-10H,7-8H2,(H,18,21)(H,19,22)
InChIKeyGRRZZUNZQXVHJQ-UHFFFAOYSA-N
XLogP2.75
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 52.75
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

N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide
CID 55752300
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
N-[[(3-nitrobenzoyl)amino]carbamothioyl]-3-phenylpropanamide
CID 3555564
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 27662850
5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide
CID 9333738
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide (CID 78774211) is N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide is O=C(CCc1cccc(Br)c1)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide?
The InChIKey is GRRZZUNZQXVHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O4/c17-13-5-1-3-11(9-13)7-8-15(21)18-19-16(22)12-4-2-6-14(10-12)20(23)24/h1-6,9-10H,7-8H2,(H,18,21)(H,19,22).
What are the key properties of N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide?
N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide has a molecular weight of 392.21 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 78774211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).