[3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate

C16H15F3N2O3 — CID 139800454

IUPAC[3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCOc1cccc(N(C)C(=O)Oc2ccc(C(F)(F)F)c(C)c2)n1
InChIInChI=1S/C16H15F3N2O3/c1-10-9-11(7-8-12(10)16(17,18)19)24-15(22)21(2)13-5-4-6-14(20-13)23-3/h4-9H,1-3H3
InChIKeyHTLOWTIPWHXYMM-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.05
Rot. Bonds3

About [3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate

[3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate (PubChem CID 139800454) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is [3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Name[3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
PubChem CID139800454
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name[3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCOc1cccc(N(C)C(=O)Oc2ccc(C(F)(F)F)c(C)c2)n1
InChIInChI=1S/C16H15F3N2O3/c1-10-9-11(7-8-12(10)16(17,18)19)24-15(22)21(2)13-5-4-6-14(20-13)23-3/h4-9H,1-3H3
InChIKeyHTLOWTIPWHXYMM-UHFFFAOYSA-N
XLogP4.05
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of [3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate (CID 139800454) is [3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for [3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for [3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate is COc1cccc(N(C)C(=O)Oc2ccc(C(F)(F)F)c(C)c2)n1.
What is the InChIKey of [3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The InChIKey is HTLOWTIPWHXYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-10-9-11(7-8-12(10)16(17,18)19)24-15(22)21(2)13-5-4-6-14(20-13)23-3/h4-9H,1-3H3.
What are the key properties of [3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
[3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate has a molecular weight of 340.30 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(trifluoromethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 139800454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).