3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide

C19H21ClN2O6 — CID 9439809

IUPAC3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H21ClN2O6/c1-5-28-14-7-6-11(9-15(14)25-2)18(23)21-22-19(24)12-8-13(20)17(27-4)16(10-12)26-3/h6-10H,5H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyQBDMMLABYOAHOS-UHFFFAOYSA-N
MW408.84 g/mol
LogP2.84
Rot. Bonds7

About 3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide

3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide (PubChem CID 9439809) has the molecular formula C19H21ClN2O6 and a molecular weight of 408.84 g/mol. Its IUPAC name is 3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
PubChem CID9439809
Molecular FormulaC19H21ClN2O6
Molecular Weight408.84 g/mol
Exact Mass408.11
IUPAC Name3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H21ClN2O6/c1-5-28-14-7-6-11(9-15(14)25-2)18(23)21-22-19(24)12-8-13(20)17(27-4)16(10-12)26-3/h6-10H,5H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyQBDMMLABYOAHOS-UHFFFAOYSA-N
XLogP2.84
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
CID 24645296
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 9090512
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide
CID 9439884
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide?
The IUPAC name of 3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide (CID 9439809) is 3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide.
What is the SMILES notation for 3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide?
The canonical SMILES for 3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of 3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide?
The InChIKey is QBDMMLABYOAHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O6/c1-5-28-14-7-6-11(9-15(14)25-2)18(23)21-22-19(24)12-8-13(20)17(27-4)16(10-12)26-3/h6-10H,5H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide?
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide has a molecular weight of 408.84 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide is sourced from PubChem (CID 9439809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).