N'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide

C19H17Cl2F3N2O2 — CID 15617789

IUPACN'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17Cl2F3N2O2/c1-18(2,3)26(25-16(27)12-6-9-14(20)15(21)10-12)17(28)11-4-7-13(8-5-11)19(22,23)24/h4-10H,1-3H3,(H,25,27)
InChIKeyOONLLOGMKYFAPJ-UHFFFAOYSA-N
MW433.26 g/mol
LogP5.60
Rot. Bonds2

About N'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide

N'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide (PubChem CID 15617789) has the molecular formula C19H17Cl2F3N2O2 and a molecular weight of 433.26 g/mol. Its IUPAC name is N'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
PubChem CID15617789
Molecular FormulaC19H17Cl2F3N2O2
Molecular Weight433.26 g/mol
Exact Mass432.06
IUPAC NameN'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17Cl2F3N2O2/c1-18(2,3)26(25-16(27)12-6-9-14(20)15(21)10-12)17(28)11-4-7-13(8-5-11)19(22,23)24/h4-10H,1-3H3,(H,25,27)
InChIKeyOONLLOGMKYFAPJ-UHFFFAOYSA-N
XLogP5.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.26
LogP ≤ 55.60
H-Bond Donors ≤ 51
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'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
The IUPAC name of N'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide (CID 15617789) is N'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide.
What is the SMILES notation for N'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
The canonical SMILES for N'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide is CC(C)(C)N(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
The InChIKey is OONLLOGMKYFAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N2O2/c1-18(2,3)26(25-16(27)12-6-9-14(20)15(21)10-12)17(28)11-4-7-13(8-5-11)19(22,23)24/h4-10H,1-3H3,(H,25,27).
What are the key properties of N'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
N'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide has a molecular weight of 433.26 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3,4-dichloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide is sourced from PubChem (CID 15617789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).