N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide

C18H18ClN3O6 — CID 9440166

IUPACN'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC
InChIInChI=1S/C18H18ClN3O6/c1-3-8-28-15-7-4-11(9-16(15)27-2)17(23)20-21-18(24)13-10-12(22(25)26)5-6-14(13)19/h4-7,9-10H,3,8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFUGBXGMVFCZKRD-UHFFFAOYSA-N
MW407.81 g/mol
LogP3.12
Rot. Bonds7

About N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide

N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide (PubChem CID 9440166) has the molecular formula C18H18ClN3O6 and a molecular weight of 407.81 g/mol. Its IUPAC name is N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide
PubChem CID9440166
Molecular FormulaC18H18ClN3O6
Molecular Weight407.81 g/mol
Exact Mass407.09
IUPAC NameN'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC
InChIInChI=1S/C18H18ClN3O6/c1-3-8-28-15-7-4-11(9-16(15)27-2)17(23)20-21-18(24)13-10-12(22(25)26)5-6-14(13)19/h4-7,9-10H,3,8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFUGBXGMVFCZKRD-UHFFFAOYSA-N
XLogP3.12
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.81
LogP ≤ 53.12
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)-4-ethoxy-3-methoxybenzohydrazide
CID 9439884
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide
CID 9314736
2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
CID 25443168
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621941
3-methoxy-N'-[2-(methylamino)-5-nitrobenzoyl]-4-(3-methylbutoxy)benzohydrazide
CID 24531838
2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide
CID 4878023
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
CID 9376413

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
The IUPAC name of N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide (CID 9440166) is N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide.
What is the SMILES notation for N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
The canonical SMILES for N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC.
What is the InChIKey of N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
The InChIKey is FUGBXGMVFCZKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O6/c1-3-8-28-15-7-4-11(9-16(15)27-2)17(23)20-21-18(24)13-10-12(22(25)26)5-6-14(13)19/h4-7,9-10H,3,8H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide has a molecular weight of 407.81 g/mol, XLogP of 3.12, 7 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)-3-methoxy-4-propoxybenzohydrazide is sourced from PubChem (CID 9440166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).