N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide

C17H15ClN4O6 — CID 18159278

IUPACN-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15ClN4O6/c1-28-14-6-5-11(18)8-13(14)17(25)21-20-15(23)9-19-16(24)10-3-2-4-12(7-10)22(26)27/h2-8H,9H2,1H3,(H,19,24)(H,20,23)(H,21,25)
InChIKeyHKZNEPCMXVGKCU-UHFFFAOYSA-N
MW406.78 g/mol
LogP1.45
Rot. Bonds6

About N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide

N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide (PubChem CID 18159278) has the molecular formula C17H15ClN4O6 and a molecular weight of 406.78 g/mol. Its IUPAC name is N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide
PubChem CID18159278
Molecular FormulaC17H15ClN4O6
Molecular Weight406.78 g/mol
Exact Mass406.07
IUPAC NameN-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15ClN4O6/c1-28-14-6-5-11(18)8-13(14)17(25)21-20-15(23)9-19-16(24)10-3-2-4-12(7-10)22(26)27/h2-8H,9H2,1H3,(H,19,24)(H,20,23)(H,21,25)
InChIKeyHKZNEPCMXVGKCU-UHFFFAOYSA-N
XLogP1.45
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.78
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide 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

N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 24636081
5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 2125835
N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide
CID 24554224
3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 27662135
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate
CID 7864396
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 9164655
5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide
CID 5154255
2,6-dichloro-N'-(5-chloro-2-methoxybenzoyl)benzohydrazide
CID 78775260
N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide
CID 134056434

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide?
The IUPAC name of N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide (CID 18159278) is N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide.
What is the SMILES notation for N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide?
The canonical SMILES for N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide is COc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide?
The InChIKey is HKZNEPCMXVGKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O6/c1-28-14-6-5-11(18)8-13(14)17(25)21-20-15(23)9-19-16(24)10-3-2-4-12(7-10)22(26)27/h2-8H,9H2,1H3,(H,19,24)(H,20,23)(H,21,25).
What are the key properties of N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide?
N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide has a molecular weight of 406.78 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide is sourced from PubChem (CID 18159278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).