2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide

C20H13ClF3NO3 — CID 152995096

IUPAC2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C1C=C(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccccc2Cl)C=CC1
InChIInChI=1S/C20H13ClF3NO3/c21-16-6-1-2-7-18(16)28-17-9-8-12(20(22,23)24)10-15(17)19(27)25-13-4-3-5-14(26)11-13/h1-4,6-11H,5H2,(H,25,27)
InChIKeyUXAWXYZEDNZHML-UHFFFAOYSA-N
MW407.78 g/mol
LogP5.29
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide

2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide (PubChem CID 152995096) has the molecular formula C20H13ClF3NO3 and a molecular weight of 407.78 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide
PubChem CID152995096
Molecular FormulaC20H13ClF3NO3
Molecular Weight407.78 g/mol
Exact Mass407.05
IUPAC Name2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C1C=C(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccccc2Cl)C=CC1
InChIInChI=1S/C20H13ClF3NO3/c21-16-6-1-2-7-18(16)28-17-9-8-12(20(22,23)24)10-15(17)19(27)25-13-4-3-5-14(26)11-13/h1-4,6-11H,5H2,(H,25,27)
InChIKeyUXAWXYZEDNZHML-UHFFFAOYSA-N
XLogP5.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.78
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide
CID 158539711
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-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
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
[4-[[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
CID 118139839
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-(3-fluoro-2-methoxyphenoxy)-N-(8-oxa-2-azabicyclo[5.1.0]octa-3,5-dien-5-yl)-5-(trifluoromethyl)benzamide
CID 155416989
2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
CID 78323102
N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide
CID 137411002

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide (CID 152995096) is 2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide is O=C1C=C(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccccc2Cl)C=CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is UXAWXYZEDNZHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3NO3/c21-16-6-1-2-7-18(16)28-17-9-8-12(20(22,23)24)10-15(17)19(27)25-13-4-3-5-14(26)11-13/h1-4,6-11H,5H2,(H,25,27).
What are the key properties of 2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide?
2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 407.78 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 152995096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).