3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide

C19H22ClN3O5 — CID 55350863

IUPAC3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
SMILESCCOc1c(Cl)cc(C(=O)NNC(=O)CNc2ccc(OC)cc2)cc1OC
InChIInChI=1S/C19H22ClN3O5/c1-4-28-18-15(20)9-12(10-16(18)27-3)19(25)23-22-17(24)11-21-13-5-7-14(26-2)8-6-13/h5-10,21H,4,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOBELXUDLMSRLOP-UHFFFAOYSA-N
MW407.85 g/mol
LogP2.63
Rot. Bonds8

About 3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide

3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide (PubChem CID 55350863) has the molecular formula C19H22ClN3O5 and a molecular weight of 407.85 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
PubChem CID55350863
Molecular FormulaC19H22ClN3O5
Molecular Weight407.85 g/mol
Exact Mass407.12
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
SMILESCCOc1c(Cl)cc(C(=O)NNC(=O)CNc2ccc(OC)cc2)cc1OC
InChIInChI=1S/C19H22ClN3O5/c1-4-28-18-15(20)9-12(10-16(18)27-3)19(25)23-22-17(24)11-21-13-5-7-14(26-2)8-6-13/h5-10,21H,4,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOBELXUDLMSRLOP-UHFFFAOYSA-N
XLogP2.63
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654496
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253702
2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
4-chloro-N'-[2-(4-methoxyanilino)acetyl]-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55350678
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 26457001
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide
CID 18206228
[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654549

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide (CID 55350863) is 3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide is CCOc1c(Cl)cc(C(=O)NNC(=O)CNc2ccc(OC)cc2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide?
The InChIKey is OBELXUDLMSRLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5/c1-4-28-18-15(20)9-12(10-16(18)27-3)19(25)23-22-17(24)11-21-13-5-7-14(26-2)8-6-13/h5-10,21H,4,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide?
3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide has a molecular weight of 407.85 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide is sourced from PubChem (CID 55350863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).