N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide

C18H18BrN3O4 — CID 55752300

IUPACN'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide
SMILESO=C(CCCCc1ccc(Br)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H18BrN3O4/c19-15-10-8-13(9-11-15)4-1-2-7-17(23)20-21-18(24)14-5-3-6-16(12-14)22(25)26/h3,5-6,8-12H,1-2,4,7H2,(H,20,23)(H,21,24)
InChIKeyGAUMNPJHDBTJRY-UHFFFAOYSA-N
MW420.26 g/mol
LogP3.53
Rot. Bonds7

About N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide

N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide (PubChem CID 55752300) has the molecular formula C18H18BrN3O4 and a molecular weight of 420.26 g/mol. Its IUPAC name is N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide
PubChem CID55752300
Molecular FormulaC18H18BrN3O4
Molecular Weight420.26 g/mol
Exact Mass419.05
IUPAC NameN'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide
SMILESO=C(CCCCc1ccc(Br)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H18BrN3O4/c19-15-10-8-13(9-11-15)4-1-2-7-17(23)20-21-18(24)14-5-3-6-16(12-14)22(25)26/h3,5-6,8-12H,1-2,4,7H2,(H,20,23)(H,21,24)
InChIKeyGAUMNPJHDBTJRY-UHFFFAOYSA-N
XLogP3.53
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide
CID 78774211
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 27662850
[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
N-[[(3-nitrobenzoyl)amino]carbamothioyl]-3-phenylpropanamide
CID 3555564
5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide
CID 9333738
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide
CID 8573535
N-hydroxy-5-(4-nitrophenyl)pentanamide
CID 142619075

Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide (CID 55752300) is N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide is O=C(CCCCc1ccc(Br)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide?
The InChIKey is GAUMNPJHDBTJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O4/c19-15-10-8-13(9-11-15)4-1-2-7-17(23)20-21-18(24)14-5-3-6-16(12-14)22(25)26/h3,5-6,8-12H,1-2,4,7H2,(H,20,23)(H,21,24).
What are the key properties of N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide?
N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide has a molecular weight of 420.26 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 55752300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).