N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide

C18H17ClN2O4 — CID 4929148

IUPACN'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O4/c1-2-11-24-15-9-5-3-7-13(15)18(23)21-20-17(22)12-25-16-10-6-4-8-14(16)19/h2-10H,1,11-12H2,(H,20,22)(H,21,23)
InChIKeyQGTHZJHVZWBZLC-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.74
Rot. Bonds7

About N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide

N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide (PubChem CID 4929148) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
PubChem CID4929148
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC NameN'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O4/c1-2-11-24-15-9-5-3-7-13(15)18(23)21-20-17(22)12-25-16-10-6-4-8-14(16)19/h2-10H,1,11-12H2,(H,20,22)(H,21,23)
InChIKeyQGTHZJHVZWBZLC-UHFFFAOYSA-N
XLogP2.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide
CID 4932333
N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4960851
N'-[2-(4-methoxyphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929179
N'-(2-naphthalen-2-yloxyacetyl)-2-prop-2-enoxybenzohydrazide
CID 4929060
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986
3,5-dichloro-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17133664
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
N'-heptanoyl-2-prop-2-enoxybenzohydrazide
CID 54789258
N'-(cyclopropanecarbonyl)-2-prop-2-enoxybenzohydrazide
CID 4929134
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929181
N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314043

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide (CID 4929148) is N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide is C=CCOc1ccccc1C(=O)NNC(=O)COc1ccccc1Cl.
What is the InChIKey of N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide?
The InChIKey is QGTHZJHVZWBZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-2-11-24-15-9-5-3-7-13(15)18(23)21-20-17(22)12-25-16-10-6-4-8-14(16)19/h2-10H,1,11-12H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide?
N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide has a molecular weight of 360.80 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 4929148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).