N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide

C18H17ClN4O7 — CID 24636081

IUPACN-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C18H17ClN4O7/c1-29-14-6-4-11(19)8-12(14)18(26)22-21-16(24)9-20-17(25)10-3-5-15(30-2)13(7-10)23(27)28/h3-8H,9H2,1-2H3,(H,20,25)(H,21,24)(H,22,26)
InChIKeyNNBYQVTUVRVZTC-UHFFFAOYSA-N
MW436.81 g/mol
LogP1.46
Rot. Bonds7

About N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide

N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide (PubChem CID 24636081) has the molecular formula C18H17ClN4O7 and a molecular weight of 436.81 g/mol. Its IUPAC name is N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide
PubChem CID24636081
Molecular FormulaC18H17ClN4O7
Molecular Weight436.81 g/mol
Exact Mass436.08
IUPAC NameN-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C18H17ClN4O7/c1-29-14-6-4-11(19)8-12(14)18(26)22-21-16(24)9-20-17(25)10-3-5-15(30-2)13(7-10)23(27)28/h3-8H,9H2,1-2H3,(H,20,25)(H,21,24)(H,22,26)
InChIKeyNNBYQVTUVRVZTC-UHFFFAOYSA-N
XLogP1.46
TPSA148.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.81
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide
CID 18159278
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 26637653
[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 4856781
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate
CID 7864396
4-methoxy-N-(3-methyl-2-oxobutyl)-3-nitrobenzamide
CID 64996817
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
4-methoxy-N-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]-3-nitrobenzamide
CID 24636983
4-chloro-N-[2-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6062749
N-[2-(3-chlorophenyl)ethyl]-4-methoxy-3-nitrobenzamide
CID 27838571
N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711542
5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 2125835
N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 27762262

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide (CID 24636081) is N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide is COc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is NNBYQVTUVRVZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O7/c1-29-14-6-4-11(19)8-12(14)18(26)22-21-16(24)9-20-17(25)10-3-5-15(30-2)13(7-10)23(27)28/h3-8H,9H2,1-2H3,(H,20,25)(H,21,24)(H,22,26).
What are the key properties of N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide?
N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 436.81 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 24636081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).