N'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide

C16H9ClF6N2O2 — CID 2741215

IUPACN'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClF6N2O2/c17-12-3-1-8(2-4-12)13(26)24-25-14(27)9-5-10(15(18,19)20)7-11(6-9)16(21,22)23/h1-7H,(H,24,26)(H,25,27)
InChIKeyXUKGZFZNXGUTCP-UHFFFAOYSA-N
MW410.70 g/mol
LogP4.45
Rot. Bonds2

About N'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide

N'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide (PubChem CID 2741215) has the molecular formula C16H9ClF6N2O2 and a molecular weight of 410.70 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide
PubChem CID2741215
Molecular FormulaC16H9ClF6N2O2
Molecular Weight410.70 g/mol
Exact Mass410.03
IUPAC NameN'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClF6N2O2/c17-12-3-1-8(2-4-12)13(26)24-25-14(27)9-5-10(15(18,19)20)7-11(6-9)16(21,22)23/h1-7H,(H,24,26)(H,25,27)
InChIKeyXUKGZFZNXGUTCP-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.70
LogP ≤ 54.45
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide (CID 2741215) is N'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide is O=C(NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide?
The InChIKey is XUKGZFZNXGUTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF6N2O2/c17-12-3-1-8(2-4-12)13(26)24-25-14(27)9-5-10(15(18,19)20)7-11(6-9)16(21,22)23/h1-7H,(H,24,26)(H,25,27).
What are the key properties of N'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide?
N'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide has a molecular weight of 410.70 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 2741215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).