2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide

C15H11ClF2N2O3 — CID 35929254

IUPAC2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H11ClF2N2O3/c16-12-7-2-1-6-11(12)14(22)20-19-13(21)9-4-3-5-10(8-9)23-15(17)18/h1-8,15H,(H,19,21)(H,20,22)
InChIKeyVHQHYMAQAPLTFX-UHFFFAOYSA-N
MW340.71 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide

2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide (PubChem CID 35929254) has the molecular formula C15H11ClF2N2O3 and a molecular weight of 340.71 g/mol. Its IUPAC name is 2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide
PubChem CID35929254
Molecular FormulaC15H11ClF2N2O3
Molecular Weight340.71 g/mol
Exact Mass340.04
IUPAC Name2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H11ClF2N2O3/c16-12-7-2-1-6-11(12)14(22)20-19-13(21)9-4-3-5-10(8-9)23-15(17)18/h1-8,15H,(H,19,21)(H,20,22)
InChIKeyVHQHYMAQAPLTFX-UHFFFAOYSA-N
XLogP3.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.71
LogP ≤ 53.02
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

N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide
CID 7945561
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379
N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide
CID 35064242
2-methyl-N'-(3-propan-2-yloxybenzoyl)benzohydrazide
CID 17142532
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7927406
3-(difluoromethoxy)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7719984
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide
CID 56785873
N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide
CID 103766634
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide (CID 35929254) is 2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide is O=C(NNC(=O)c1ccccc1Cl)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide?
The InChIKey is VHQHYMAQAPLTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O3/c16-12-7-2-1-6-11(12)14(22)20-19-13(21)9-4-3-5-10(8-9)23-15(17)18/h1-8,15H,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide?
2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide has a molecular weight of 340.71 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 35929254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).