3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide

C22H14ClF4NO3 — CID 153170960

IUPAC3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide
SMILESNC(=O)c1cccc(CC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2Cl)c1
InChIInChI=1S/C22H14ClF4NO3/c23-17-11-15(24)5-7-20(17)31-19-6-4-14(22(25,26)27)10-16(19)18(29)9-12-2-1-3-13(8-12)21(28)30/h1-8,10-11H,9H2,(H2,28,30)
InChIKeyWEEZNLJAHWOOOP-UHFFFAOYSA-N
MW451.80 g/mol
LogP5.81
Rot. Bonds6

About 3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide

3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide (PubChem CID 153170960) has the molecular formula C22H14ClF4NO3 and a molecular weight of 451.80 g/mol. Its IUPAC name is 3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide
PubChem CID153170960
Molecular FormulaC22H14ClF4NO3
Molecular Weight451.80 g/mol
Exact Mass451.06
IUPAC Name3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide
SMILESNC(=O)c1cccc(CC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2Cl)c1
InChIInChI=1S/C22H14ClF4NO3/c23-17-11-15(24)5-7-20(17)31-19-6-4-14(22(25,26)27)10-16(19)18(29)9-12-2-1-3-13(8-12)21(28)30/h1-8,10-11H,9H2,(H2,28,30)
InChIKeyWEEZNLJAHWOOOP-UHFFFAOYSA-N
XLogP5.81
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.80
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[2-(4-fluorophenoxy)-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-oxoethyl]benzamide
CID 161071810
3-[2-[2-(4-chloro-2-methoxyphenoxy)-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-oxoethyl]benzamide
CID 158580424
3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide
CID 32636811
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methylsulfonyl]benzamide
CID 57191246
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxyethyl 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
CID 14403310
1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
CID 112677592
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone
CID 146009822
N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide
CID 137411002
1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 61054868
amino 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
CID 70515964

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide (CID 153170960) is 3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide is NC(=O)c1cccc(CC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2Cl)c1.
What is the InChIKey of 3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide?
The InChIKey is WEEZNLJAHWOOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF4NO3/c23-17-11-15(24)5-7-20(17)31-19-6-4-14(22(25,26)27)10-16(19)18(29)9-12-2-1-3-13(8-12)21(28)30/h1-8,10-11H,9H2,(H2,28,30).
What are the key properties of 3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide?
3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 451.80 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 153170960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).