4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide

C21H18ClN3O4 — CID 55792325

IUPAC4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C21H18ClN3O4/c1-28-19-11-16(22)7-8-18(19)21(27)25-24-20(26)15-5-2-6-17(10-15)29-13-14-4-3-9-23-12-14/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyIQQHPQLQURNHHD-UHFFFAOYSA-N
MW411.85 g/mol
LogP3.40
Rot. Bonds6

About 4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide

4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide (PubChem CID 55792325) has the molecular formula C21H18ClN3O4 and a molecular weight of 411.85 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide
PubChem CID55792325
Molecular FormulaC21H18ClN3O4
Molecular Weight411.85 g/mol
Exact Mass411.10
IUPAC Name4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C21H18ClN3O4/c1-28-19-11-16(22)7-8-18(19)21(27)25-24-20(26)15-5-2-6-17(10-15)29-13-14-4-3-9-23-12-14/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyIQQHPQLQURNHHD-UHFFFAOYSA-N
XLogP3.40
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 55792202
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide
CID 112832632
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide?
The IUPAC name of 4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide (CID 55792325) is 4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide is COc1cc(Cl)ccc1C(=O)NNC(=O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of 4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide?
The InChIKey is IQQHPQLQURNHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4/c1-28-19-11-16(22)7-8-18(19)21(27)25-24-20(26)15-5-2-6-17(10-15)29-13-14-4-3-9-23-12-14/h2-12H,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide?
4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide has a molecular weight of 411.85 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 55792325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).