4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide

C14H16ClN3O4 — CID 3383684

IUPAC4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide
SMILESO=C(NNC(=O)C1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16ClN3O4/c15-11-7-6-10(8-12(11)18(21)22)14(20)17-16-13(19)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,19)(H,17,20)
InChIKeyJDLRGGHZPFWTRA-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.59
Rot. Bonds3

About 4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide

4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide (PubChem CID 3383684) has the molecular formula C14H16ClN3O4 and a molecular weight of 325.75 g/mol. Its IUPAC name is 4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide
PubChem CID3383684
Molecular FormulaC14H16ClN3O4
Molecular Weight325.75 g/mol
Exact Mass325.08
IUPAC Name4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide
SMILESO=C(NNC(=O)C1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16ClN3O4/c15-11-7-6-10(8-12(11)18(21)22)14(20)17-16-13(19)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,19)(H,17,20)
InChIKeyJDLRGGHZPFWTRA-UHFFFAOYSA-N
XLogP2.59
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.59
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'}

Analyze 4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide
CID 3385359
4-chloro-N-cyclobutyl-3-nitrobenzamide
CID 62415356
4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
CID 3381280
4-chloro-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]benzamide
CID 3555282
4-chloro-3-nitrobenzohydrazide
CID 3704353
4-chloro-N'-(cyclohexanecarbonyl)-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9327303
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide
CID 923562
4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide
CID 2666799
4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide
CID 18712030
4-chloro-N-(1-cyanocyclohexyl)-3-nitrobenzamide
CID 78805852
4-chloro-N-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-nitrobenzamide;hydrochloride
CID 163326580

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide?
The IUPAC name of 4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide (CID 3383684) is 4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide.
What is the SMILES notation for 4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide?
The canonical SMILES for 4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide is O=C(NNC(=O)C1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide?
The InChIKey is JDLRGGHZPFWTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4/c15-11-7-6-10(8-12(11)18(21)22)14(20)17-16-13(19)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,19)(H,17,20).
What are the key properties of 4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide?
4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide has a molecular weight of 325.75 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 3383684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).