[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate

C20H15F3N2O3 — CID 10150601

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1
InChIInChI=1S/C20H15F3N2O3/c1-25(15-5-3-2-4-6-15)19(26)28-17-10-8-16(9-11-17)27-18-12-7-14(13-24-18)20(21,22)23/h2-13H,1H3
InChIKeyPSWIRECCIGQXPZ-UHFFFAOYSA-N
MW388.35 g/mol
LogP5.53
Rot. Bonds4

About [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate (PubChem CID 10150601) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate
PubChem CID10150601
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1
InChIInChI=1S/C20H15F3N2O3/c1-25(15-5-3-2-4-6-15)19(26)28-17-10-8-16(9-11-17)27-18-12-7-14(13-24-18)20(21,22)23/h2-13H,1H3
InChIKeyPSWIRECCIGQXPZ-UHFFFAOYSA-N
XLogP5.53
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fluazifop-butyl
CID 50897
Fluazifop-p-butyl
CID 3033674
4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
CID 155241
Methyl-phenyl-carbamic acid 4-(3,5-dichloro-pyridin-2-yloxy)-phenyl ester
CID 10215997
Methyl-phenyl-carbamic acid 4-(5-chloropyridin-2-yloxy)-phenyl ester
CID 23635399
Morpholine-4-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635512
2,6-Dimethyl-morpholine-4-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635513
Methyl-o-tolyl-carbamic acid 4-(trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635515
Methyl-p-tolyl-carbamic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl ester
CID 23635516
(2-Chloro-phenyl)-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635632
(4-Methoxy-phenyl)-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635633
4-Methyl-piperidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635635

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate (CID 10150601) is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate is CN(C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate?
The InChIKey is PSWIRECCIGQXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c1-25(15-5-3-2-4-6-15)19(26)28-17-10-8-16(9-11-17)27-18-12-7-14(13-24-18)20(21,22)23/h2-13H,1H3.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate?
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate has a molecular weight of 388.35 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-methyl-N-phenylcarbamate is sourced from PubChem (CID 10150601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).