3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide

C18H18Cl2N2O4 — CID 9322281

IUPAC3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
SMILESCOc1c(Cl)cc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O4/c1-10-4-11(2)6-13(5-10)26-9-16(23)21-22-18(24)12-7-14(19)17(25-3)15(20)8-12/h4-8H,9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDDAPNDKQQWXQGR-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.46
Rot. Bonds5

About 3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide

3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide (PubChem CID 9322281) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is 3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound Name3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
PubChem CID9322281
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
SMILESCOc1c(Cl)cc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O4/c1-10-4-11(2)6-13(5-10)26-9-16(23)21-22-18(24)12-7-14(19)17(25-3)15(20)8-12/h4-8H,9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDDAPNDKQQWXQGR-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.46
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

3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9366541
3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
CID 4501311
N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
CID 30483036
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide
CID 26259356
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853731
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 4936299
N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 2710688
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 909252
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2818575
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide?
The IUPAC name of 3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide (CID 9322281) is 3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide.
What is the SMILES notation for 3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide?
The canonical SMILES for 3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide is COc1c(Cl)cc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide?
The InChIKey is DDAPNDKQQWXQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-10-4-11(2)6-13(5-10)26-9-16(23)21-22-18(24)12-7-14(19)17(25-3)15(20)8-12/h4-8H,9H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide?
3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide has a molecular weight of 397.26 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 9322281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).