3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide

C17H17ClN2O4 — CID 46471065

IUPAC3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
SMILESCOc1cccc(COCC(=O)NNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O4/c1-23-15-7-2-4-12(8-15)10-24-11-16(21)19-20-17(22)13-5-3-6-14(18)9-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyRNIYCXFBELDFFO-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.33
Rot. Bonds6

About 3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide

3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide (PubChem CID 46471065) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
PubChem CID46471065
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
SMILESCOc1cccc(COCC(=O)NNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O4/c1-23-15-7-2-4-12(8-15)10-24-11-16(21)19-20-17(22)13-5-3-6-14(18)9-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyRNIYCXFBELDFFO-UHFFFAOYSA-N
XLogP2.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
CID 46489323
3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 27231758
3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993552
(4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate
CID 870443
N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide
CID 8637145
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
N'-(2-cyanoacetyl)-3-methoxybenzohydrazide
CID 3117668
4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 2698184
1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
CID 62031532
N-(4-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24708109
(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid
CID 97234234
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(3-methoxyphenyl)methoxy]ethanone
CID 46469565

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide (CID 46471065) is 3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide is COc1cccc(COCC(=O)NNC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide?
The InChIKey is RNIYCXFBELDFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-23-15-7-2-4-12(8-15)10-24-11-16(21)19-20-17(22)13-5-3-6-14(18)9-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide?
3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide has a molecular weight of 348.79 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide is sourced from PubChem (CID 46471065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).