3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide

C21H18Cl2N2O4 — CID 55405875

IUPAC3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
SMILESCOc1c(Cl)cc(C(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C21H18Cl2N2O4/c1-12(29-16-8-7-13-5-3-4-6-14(13)9-16)20(26)24-25-21(27)15-10-17(22)19(28-2)18(23)11-15/h3-12H,1-2H3,(H,24,26)(H,25,27)
InChIKeyGXJRMUGJSZZZLW-UHFFFAOYSA-N
MW433.29 g/mol
LogP4.38
Rot. Bonds5

About 3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide

3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide (PubChem CID 55405875) has the molecular formula C21H18Cl2N2O4 and a molecular weight of 433.29 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
PubChem CID55405875
Molecular FormulaC21H18Cl2N2O4
Molecular Weight433.29 g/mol
Exact Mass432.06
IUPAC Name3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
SMILESCOc1c(Cl)cc(C(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C21H18Cl2N2O4/c1-12(29-16-8-7-13-5-3-4-6-14(13)9-16)20(26)24-25-21(27)15-10-17(22)19(28-2)18(23)11-15/h3-12H,1-2H3,(H,24,26)(H,25,27)
InChIKeyGXJRMUGJSZZZLW-UHFFFAOYSA-N
XLogP4.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 54.38
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

2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003659
5-chloro-2-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003624
(2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757659
N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide
CID 27813982
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
4-methoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide
CID 4940315
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
3-ethoxy-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]benzohydrazide
CID 9294538
(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757594
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide
CID 43003657

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide?
The IUPAC name of 3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide (CID 55405875) is 3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide is COc1c(Cl)cc(C(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide?
The InChIKey is GXJRMUGJSZZZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O4/c1-12(29-16-8-7-13-5-3-4-6-14(13)9-16)20(26)24-25-21(27)15-10-17(22)19(28-2)18(23)11-15/h3-12H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide?
3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide has a molecular weight of 433.29 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide is sourced from PubChem (CID 55405875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).