2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide

C15H10ClF3N2O2 — CID 35932014

IUPAC2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3N2O2/c16-12-4-2-1-3-11(12)14(23)21-20-13(22)9-5-7-10(8-6-9)15(17,18)19/h1-8H,(H,20,22)(H,21,23)
InChIKeyASCNFGBFCAJYJC-UHFFFAOYSA-N
MW342.70 g/mol
LogP3.43
Rot. Bonds2

About 2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide

2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide (PubChem CID 35932014) has the molecular formula C15H10ClF3N2O2 and a molecular weight of 342.70 g/mol. Its IUPAC name is 2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
PubChem CID35932014
Molecular FormulaC15H10ClF3N2O2
Molecular Weight342.70 g/mol
Exact Mass342.04
IUPAC Name2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3N2O2/c16-12-4-2-1-3-11(12)14(23)21-20-13(22)9-5-7-10(8-6-9)15(17,18)19/h1-8H,(H,20,22)(H,21,23)
InChIKeyASCNFGBFCAJYJC-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.70
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-(trifluoromethyl)benzamide
CID 2819863
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide
CID 35930248
3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 22147888
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
2-chloro-N'-[4-(2-methoxyethoxy)benzoyl]benzohydrazide
CID 17353590
N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 1145926
2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide
CID 4927487
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7838369
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930070

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide (CID 35932014) is 2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide is O=C(NNC(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
The InChIKey is ASCNFGBFCAJYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O2/c16-12-4-2-1-3-11(12)14(23)21-20-13(22)9-5-7-10(8-6-9)15(17,18)19/h1-8H,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide has a molecular weight of 342.70 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide is sourced from PubChem (CID 35932014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).