2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide

C20H13F4NO4 — CID 147895425

IUPAC2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide
SMILESO=C1C=C(NC(=O)c2cc(OC(F)(F)F)ccc2Oc2ccc(F)cc2)C=CC1
InChIInChI=1S/C20H13F4NO4/c21-12-4-6-15(7-5-12)28-18-9-8-16(29-20(22,23)24)11-17(18)19(27)25-13-2-1-3-14(26)10-13/h1-2,4-11H,3H2,(H,25,27)
InChIKeyIDFCESUKOHZRLF-UHFFFAOYSA-N
MW407.32 g/mol
LogP4.66
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide

2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide (PubChem CID 147895425) has the molecular formula C20H13F4NO4 and a molecular weight of 407.32 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide
PubChem CID147895425
Molecular FormulaC20H13F4NO4
Molecular Weight407.32 g/mol
Exact Mass407.08
IUPAC Name2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide
SMILESO=C1C=C(NC(=O)c2cc(OC(F)(F)F)ccc2Oc2ccc(F)cc2)C=CC1
InChIInChI=1S/C20H13F4NO4/c21-12-4-6-15(7-5-12)28-18-9-8-16(29-20(22,23)24)11-17(18)19(27)25-13-2-1-3-14(26)10-13/h1-2,4-11H,3H2,(H,25,27)
InChIKeyIDFCESUKOHZRLF-UHFFFAOYSA-N
XLogP4.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide;2-(2-fluoro-6-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide;2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide
CID 161136525
5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide
CID 148566728
2-(4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)benzamide
CID 152808883
2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide
CID 152995096
4-methylphenol;2-(4-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethoxy)benzamide
CID 157153109
bis(5-chloro-2-[2-(difluoromethoxy)-4-fluorophenoxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide);5-chloro-2-fluoro-N-(3-oxocyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)benzamide;2-(difluoromethoxy)-4-fluoro-1-methoxybenzene;2-(difluoromethoxy)-4-fluorophenol;5-fluoro-2-methoxyphenol
CID 163545056
2-(cyclopentylmethoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethoxy)benzamide
CID 90034788
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
methyl 2-(4-fluorophenoxy)-5-methylbenzoate
CID 143796271
[4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
CID 118139736
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide (CID 147895425) is 2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide is O=C1C=C(NC(=O)c2cc(OC(F)(F)F)ccc2Oc2ccc(F)cc2)C=CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide?
The InChIKey is IDFCESUKOHZRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4NO4/c21-12-4-6-15(7-5-12)28-18-9-8-16(29-20(22,23)24)11-17(18)19(27)25-13-2-1-3-14(26)10-13/h1-2,4-11H,3H2,(H,25,27).
What are the key properties of 2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide?
2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide has a molecular weight of 407.32 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide is sourced from PubChem (CID 147895425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).