N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide

C20H19Cl2F3N2O3 — CID 19752817

IUPACN'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
SMILESCN(C(=O)c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(OC(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C20H19Cl2F3N2O3/c1-19(2,3)27(26(4)18(29)15-10-7-13(21)11-16(15)22)17(28)12-5-8-14(9-6-12)30-20(23,24)25/h5-11H,1-4H3
InChIKeyHYRVRKGUGUOVOF-UHFFFAOYSA-N
MW463.28 g/mol
LogP5.82
Rot. Bonds3

About N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide

N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide (PubChem CID 19752817) has the molecular formula C20H19Cl2F3N2O3 and a molecular weight of 463.28 g/mol. Its IUPAC name is N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
PubChem CID19752817
Molecular FormulaC20H19Cl2F3N2O3
Molecular Weight463.28 g/mol
Exact Mass462.07
IUPAC NameN'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
SMILESCN(C(=O)c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(OC(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C20H19Cl2F3N2O3/c1-19(2,3)27(26(4)18(29)15-10-7-13(21)11-16(15)22)17(28)12-5-8-14(9-6-12)30-20(23,24)25/h5-11H,1-4H3
InChIKeyHYRVRKGUGUOVOF-UHFFFAOYSA-N
XLogP5.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.28
LogP ≤ 55.82
H-Bond Donors ≤ 50
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'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide
CID 19752746
2,4-dichloro-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2744744
N,N-ditert-butyl-4-(trifluoromethoxy)benzamide
CID 59614232
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629442
N-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide
CID 19752989
propan-2-yl 2-chloro-4-(trifluoromethoxy)benzoate
CID 133054468
N'-benzoyl-N-tert-butyl-3,5-dichloro-N'-methylbenzohydrazide
CID 19752979
N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide
CID 70428217
N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
CID 2107466
N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane
CID 143270772
(5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005384

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The IUPAC name of N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide (CID 19752817) is N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The canonical SMILES for N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide is CN(C(=O)c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(OC(F)(F)F)cc1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The InChIKey is HYRVRKGUGUOVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2F3N2O3/c1-19(2,3)27(26(4)18(29)15-10-7-13(21)11-16(15)22)17(28)12-5-8-14(9-6-12)30-20(23,24)25/h5-11H,1-4H3.
What are the key properties of N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide has a molecular weight of 463.28 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 19752817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).