N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide

C25H31N3O4 — CID 4207531

IUPACN'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide
SMILESCCCCCC1CCC(c2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1
InChIInChI=1S/C25H31N3O4/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24(29)26-27-25(30)22-14-16-23(17-15-22)28(31)32/h10-19H,2-9H2,1H3,(H,26,29)(H,27,30)
InChIKeyYOIXYJNGLIHREY-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.52
Rot. Bonds8

About N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide

N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide (PubChem CID 4207531) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide
PubChem CID4207531
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide
SMILESCCCCCC1CCC(c2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1
InChIInChI=1S/C25H31N3O4/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24(29)26-27-25(30)22-14-16-23(17-15-22)28(31)32/h10-19H,2-9H2,1H3,(H,26,29)(H,27,30)
InChIKeyYOIXYJNGLIHREY-UHFFFAOYSA-N
XLogP5.52
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.52
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

4-(4-heptylcyclohexyl)benzoic acid
CID 12700035
1,3-dinitro-5-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 139915484
[3-nitro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-(4-nitrophenyl)methanone
CID 12040484
4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 67692918
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
N-(2,4-diaminophenyl)-4-(4-heptylcyclohexyl)benzamide
CID 90266417
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide
CID 5418025
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
2,4-dinitro-1-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethynyl]benzene
CID 139948034
2-deuterio-4-(4-pentylcyclohexyl)benzamide
CID 175768755
1-[4-[4-(4-nonylcyclohexyl)phenyl]phenyl]pentane-1,3-dione
CID 20503090

Frequently Asked Questions

What is the IUPAC name of N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide?
The IUPAC name of N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide (CID 4207531) is N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide.
What is the SMILES notation for N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide?
The canonical SMILES for N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide is CCCCCC1CCC(c2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1.
What is the InChIKey of N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide?
The InChIKey is YOIXYJNGLIHREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24(29)26-27-25(30)22-14-16-23(17-15-22)28(31)32/h10-19H,2-9H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide?
N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide has a molecular weight of 437.54 g/mol, XLogP of 5.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide is sourced from PubChem (CID 4207531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).