N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C16H20N4O5 — CID 4925375

IUPACN-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H20N4O5/c21-14(10-17-15(22)11-6-2-1-3-7-11)18-19-16(23)12-8-4-5-9-13(12)20(24)25/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,22)(H,18,21)(H,19,23)
InChIKeyFRVLEHNJINJNPC-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.05
Rot. Bonds5

About N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4925375) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4925375
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC NameN-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H20N4O5/c21-14(10-17-15(22)11-6-2-1-3-7-11)18-19-16(23)12-8-4-5-9-13(12)20(24)25/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,22)(H,18,21)(H,19,23)
InChIKeyFRVLEHNJINJNPC-UHFFFAOYSA-N
XLogP1.05
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

[2-(2-nitroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807700
cyclohexyl-(2-nitrophenyl)methanone
CID 82116139
N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-2-nitrobenzamide
CID 3484479
N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
CID 3284801
N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 2437967
N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925419
N-[2-(cycloheptylamino)ethyl]-2-nitrobenzamide;hydrochloride
CID 91645413
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925439
[(2-nitrobenzoyl)amino]urea
CID 61061190
5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid
CID 4949721
N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide
CID 46450538

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 4925375) is N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is FRVLEHNJINJNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5/c21-14(10-17-15(22)11-6-2-1-3-7-11)18-19-16(23)12-8-4-5-9-13(12)20(24)25/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,22)(H,18,21)(H,19,23).
What are the key properties of N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 348.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4925375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).