4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide

C17H13F5N2O4 — CID 7943250

IUPAC4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H13F5N2O4/c18-16(19)28-12-6-4-10(5-7-12)15(26)24-23-14(25)9-27-13-3-1-2-11(8-13)17(20,21)22/h1-8,16H,9H2,(H,23,25)(H,24,26)
InChIKeyDZWWWBGVOMFECQ-UHFFFAOYSA-N
MW404.29 g/mol
LogP3.15
Rot. Bonds6

About 4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide

4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide (PubChem CID 7943250) has the molecular formula C17H13F5N2O4 and a molecular weight of 404.29 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
PubChem CID7943250
Molecular FormulaC17H13F5N2O4
Molecular Weight404.29 g/mol
Exact Mass404.08
IUPAC Name4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H13F5N2O4/c18-16(19)28-12-6-4-10(5-7-12)15(26)24-23-14(25)9-27-13-3-1-2-11(8-13)17(20,21)22/h1-8,16H,9H2,(H,23,25)(H,24,26)
InChIKeyDZWWWBGVOMFECQ-UHFFFAOYSA-N
XLogP3.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846175
N,N-dimethyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]carbamoyl]benzenesulfonamide
CID 2548184
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846150
3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 60605892
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 55489256
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379
4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide
CID 18275527

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The IUPAC name of 4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide (CID 7943250) is 4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide.
What is the SMILES notation for 4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The canonical SMILES for 4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide is O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The InChIKey is DZWWWBGVOMFECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O4/c18-16(19)28-12-6-4-10(5-7-12)15(26)24-23-14(25)9-27-13-3-1-2-11(8-13)17(20,21)22/h1-8,16H,9H2,(H,23,25)(H,24,26).
What are the key properties of 4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide has a molecular weight of 404.29 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide is sourced from PubChem (CID 7943250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).