N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide

C17H16ClN3O6 — CID 9439884

IUPACN'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC
InChIInChI=1S/C17H16ClN3O6/c1-3-27-14-7-4-10(8-15(14)26-2)16(22)19-20-17(23)12-9-11(21(24)25)5-6-13(12)18/h4-9H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFKQNZHKBUCXDJZ-UHFFFAOYSA-N
MW393.78 g/mol
LogP2.73
Rot. Bonds6

About N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide

N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide (PubChem CID 9439884) has the molecular formula C17H16ClN3O6 and a molecular weight of 393.78 g/mol. Its IUPAC name is N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide
PubChem CID9439884
Molecular FormulaC17H16ClN3O6
Molecular Weight393.78 g/mol
Exact Mass393.07
IUPAC NameN'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC
InChIInChI=1S/C17H16ClN3O6/c1-3-27-14-7-4-10(8-15(14)26-2)16(22)19-20-17(23)12-9-11(21(24)25)5-6-13(12)18/h4-9H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFKQNZHKBUCXDJZ-UHFFFAOYSA-N
XLogP2.73
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.78
LogP ≤ 52.73
H-Bond Donors ≤ 52
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'}

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Related Compounds

N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440166
4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 25441159
2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide
CID 4878023
3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide
CID 9314736
N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide
CID 26620956
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
3-methoxy-N'-[2-(methylamino)-5-nitrobenzoyl]-4-(3-methylbutoxy)benzohydrazide
CID 24531838
4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308893
4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
CID 9392138
N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2896964
3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126225259

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide?
The IUPAC name of N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide (CID 9439884) is N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide.
What is the SMILES notation for N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide?
The canonical SMILES for N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC.
What is the InChIKey of N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide?
The InChIKey is FKQNZHKBUCXDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O6/c1-3-27-14-7-4-10(8-15(14)26-2)16(22)19-20-17(23)12-9-11(21(24)25)5-6-13(12)18/h4-9H,3H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide?
N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide has a molecular weight of 393.78 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide is sourced from PubChem (CID 9439884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).