N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide

C15H19N3O4 — CID 5418025

IUPACN'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide
SMILESO=C(CCC1CCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O4/c19-14(10-5-11-3-1-2-4-11)16-17-15(20)12-6-8-13(9-7-12)18(21)22/h6-9,11H,1-5,10H2,(H,16,19)(H,17,20)
InChIKeyABNPJEQKLHZMEK-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.33
Rot. Bonds5

About N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide

N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide (PubChem CID 5418025) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide
PubChem CID5418025
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide
SMILESO=C(CCC1CCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O4/c19-14(10-5-11-3-1-2-4-11)16-17-15(20)12-6-8-13(9-7-12)18(21)22/h6-9,11H,1-5,10H2,(H,16,19)(H,17,20)
InChIKeyABNPJEQKLHZMEK-UHFFFAOYSA-N
XLogP2.33
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.33
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'-(4-cyclohexylbutanoyl)-4-fluorobenzohydrazide
CID 9340834
3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide
CID 3850137
N'-(4-cyclohexylbutanoyl)benzohydrazide
CID 9414897
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 2678141
N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 24645321
N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide
CID 4207531
methyl 3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxopropanoate
CID 22911679
N-cyclododecyl-4-nitrobenzamide
CID 19168070
N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
CID 3505980
N'-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]-4-nitrobenzohydrazide
CID 46663645
4-nitro-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide
CID 8869434
N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]-4-nitrobenzohydrazide
CID 9036506

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide?
The IUPAC name of N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide (CID 5418025) is N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide.
What is the SMILES notation for N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide?
The canonical SMILES for N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide is O=C(CCC1CCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide?
The InChIKey is ABNPJEQKLHZMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-14(10-5-11-3-1-2-4-11)16-17-15(20)12-6-8-13(9-7-12)18(21)22/h6-9,11H,1-5,10H2,(H,16,19)(H,17,20).
What are the key properties of N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide?
N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide has a molecular weight of 305.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide is sourced from PubChem (CID 5418025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).