[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate

C20H14ClF3N2O3 — CID 23636020

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H14ClF3N2O3/c1-26(15-4-2-3-14(21)11-15)19(27)29-17-8-6-16(7-9-17)28-18-10-5-13(12-25-18)20(22,23)24/h2-12H,1H3
InChIKeyAAMQCUQQLINFHV-UHFFFAOYSA-N
MW422.79 g/mol
LogP6.18
Rot. Bonds4

About [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate (PubChem CID 23636020) has the molecular formula C20H14ClF3N2O3 and a molecular weight of 422.79 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate
PubChem CID23636020
Molecular FormulaC20H14ClF3N2O3
Molecular Weight422.79 g/mol
Exact Mass422.06
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H14ClF3N2O3/c1-26(15-4-2-3-14(21)11-15)19(27)29-17-8-6-16(7-9-17)28-18-10-5-13(12-25-18)20(22,23)24/h2-12H,1H3
InChIKeyAAMQCUQQLINFHV-UHFFFAOYSA-N
XLogP6.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.79
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl-phenyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 10150601
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
4-Benzyl-piperidine-1-carboxylic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester
CID 23635636
Piperidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635895

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate (CID 23636020) is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate is CN(C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccc(Cl)c1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate?
The InChIKey is AAMQCUQQLINFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O3/c1-26(15-4-2-3-14(21)11-15)19(27)29-17-8-6-16(7-9-17)28-18-10-5-13(12-25-18)20(22,23)24/h2-12H,1H3.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate?
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(3-chlorophenyl)-N-methylcarbamate has a molecular weight of 422.79 g/mol, XLogP of 6.18, 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-(3-chlorophenyl)-N-methylcarbamate is sourced from PubChem (CID 23636020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).