4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide

C21H17F3N2O2 — CID 55343538

IUPAC4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)17-7-4-8-18(13-17)25-26-20(27)16-9-11-19(12-10-16)28-14-15-5-2-1-3-6-15/h1-13,25H,14H2,(H,26,27)
InChIKeyBAYJNQGPJQXWIV-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.04
Rot. Bonds6

About 4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide

4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide (PubChem CID 55343538) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide.

Molecular Properties

Compound Name4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
PubChem CID55343538
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)17-7-4-8-18(13-17)25-26-20(27)16-9-11-19(12-10-16)28-14-15-5-2-1-3-6-15/h1-13,25H,14H2,(H,26,27)
InChIKeyBAYJNQGPJQXWIV-UHFFFAOYSA-N
XLogP5.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.04
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

4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55489667
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
N-phenylmethoxy-3-(trifluoromethyl)aniline
CID 154104774
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
CID 23393373
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2224754
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide?
The IUPAC name of 4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide (CID 55343538) is 4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide.
What is the SMILES notation for 4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide?
The canonical SMILES for 4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide is O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide?
The InChIKey is BAYJNQGPJQXWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c22-21(23,24)17-7-4-8-18(13-17)25-26-20(27)16-9-11-19(12-10-16)28-14-15-5-2-1-3-6-15/h1-13,25H,14H2,(H,26,27).
What are the key properties of 4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide?
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide has a molecular weight of 386.37 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide is sourced from PubChem (CID 55343538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).