5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide

C20H21ClN2O5 — CID 24636112

IUPAC5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide
SMILESC/C=C/c1ccc(OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)c(OC)c1
InChIInChI=1S/C20H21ClN2O5/c1-4-5-13-6-8-17(18(10-13)27-3)28-12-19(24)22-23-20(25)15-11-14(21)7-9-16(15)26-2/h4-11H,12H2,1-3H3,(H,22,24)(H,23,25)/b5-4+
InChIKeyRROCXVWEGCDFSL-SNAWJCMRSA-N
MW404.85 g/mol
LogP3.23
Rot. Bonds7

About 5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide

5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide (PubChem CID 24636112) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide
PubChem CID24636112
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Name5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide
SMILESC/C=C/c1ccc(OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)c(OC)c1
InChIInChI=1S/C20H21ClN2O5/c1-4-5-13-6-8-17(18(10-13)27-3)28-12-19(24)22-23-20(25)15-11-14(21)7-9-16(15)26-2/h4-11H,12H2,1-3H3,(H,22,24)(H,23,25)/b5-4+
InChIKeyRROCXVWEGCDFSL-SNAWJCMRSA-N
XLogP3.23
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.23
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

5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
[2-(4-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907929
N-(2-fluoro-5-methylphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426327
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426363
5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide
CID 4811622
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527703

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide?
The IUPAC name of 5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide (CID 24636112) is 5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide is C/C=C/c1ccc(OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)c(OC)c1.
What is the InChIKey of 5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide?
The InChIKey is RROCXVWEGCDFSL-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-4-5-13-6-8-17(18(10-13)27-3)28-12-19(24)22-23-20(25)15-11-14(21)7-9-16(15)26-2/h4-11H,12H2,1-3H3,(H,22,24)(H,23,25)/b5-4+.
What are the key properties of 5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide?
5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide has a molecular weight of 404.85 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide is sourced from PubChem (CID 24636112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).