2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide

C17H16Cl2N2O3 — CID 86983287

IUPAC2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide
SMILESCC(OCc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-11(24-10-12-5-3-2-4-6-12)16(22)20-21-17(23)14-9-13(18)7-8-15(14)19/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyLEBNBVNNOAYHOG-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.36
Rot. Bonds5

About 2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide

2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide (PubChem CID 86983287) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide.

Molecular Properties

Compound Name2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide
PubChem CID86983287
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide
SMILESCC(OCc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-11(24-10-12-5-3-2-4-6-12)16(22)20-21-17(23)14-9-13(18)7-8-15(14)19/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyLEBNBVNNOAYHOG-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.36
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

2,5-dichloro-N'-(2-phenoxypropanoyl)benzohydrazide
CID 18158718
2-methyl-N'-(2-phenylmethoxypropanoyl)furan-3-carbohydrazide
CID 46480731
2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide
CID 86954742
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 51941387
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide
CID 55647951
1-methyl-3-(2-phenylmethoxypropanoylamino)urea
CID 47383903
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid
CID 3349728
N'-acetyl-2,5-dichlorobenzohydrazide
CID 47099470
N-[(2S)-1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 55936922
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide?
The IUPAC name of 2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide (CID 86983287) is 2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide.
What is the SMILES notation for 2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide?
The canonical SMILES for 2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide is CC(OCc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide?
The InChIKey is LEBNBVNNOAYHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-11(24-10-12-5-3-2-4-6-12)16(22)20-21-17(23)14-9-13(18)7-8-15(14)19/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide?
2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide has a molecular weight of 367.23 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide is sourced from PubChem (CID 86983287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).