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

C20H16Cl2N2O3 — CID 43003659

IUPAC2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H16Cl2N2O3/c1-12(27-15-10-9-13-5-2-3-6-14(13)11-15)19(25)23-24-20(26)16-7-4-8-17(21)18(16)22/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyKGDLZXIHYLGISW-UHFFFAOYSA-N
MW403.27 g/mol
LogP4.38
Rot. Bonds4

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

2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide (PubChem CID 43003659) has the molecular formula C20H16Cl2N2O3 and a molecular weight of 403.27 g/mol. Its IUPAC name is 2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide.

Molecular Properties

Compound Name2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
PubChem CID43003659
Molecular FormulaC20H16Cl2N2O3
Molecular Weight403.27 g/mol
Exact Mass402.05
IUPAC Name2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H16Cl2N2O3/c1-12(27-15-10-9-13-5-2-3-6-14(13)11-15)19(25)23-24-20(26)16-7-4-8-17(21)18(16)22/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyKGDLZXIHYLGISW-UHFFFAOYSA-N
XLogP4.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757659
5-chloro-2-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003624
3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 55405875
2,3-dichloro-N'-(2-methylpropanoyl)benzohydrazide
CID 26890563
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7760909
N'-(2-naphthalen-2-yloxypropanoyl)cyclopropanecarbohydrazide
CID 4940181
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea
CID 8757601
2,5-dichloro-N'-(2-phenoxypropanoyl)benzohydrazide
CID 18158718
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide?
The IUPAC name of 2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide (CID 43003659) is 2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide.
What is the SMILES notation for 2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide?
The canonical SMILES for 2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide is CC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide?
The InChIKey is KGDLZXIHYLGISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3/c1-12(27-15-10-9-13-5-2-3-6-14(13)11-15)19(25)23-24-20(26)16-7-4-8-17(21)18(16)22/h2-12H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide?
2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide has a molecular weight of 403.27 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide is sourced from PubChem (CID 43003659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).