2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate

C15H11Cl2F3N2O3 — CID 3480406

IUPAC2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
SMILESO=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)OCC(F)(F)F
InChIInChI=1S/C15H11Cl2F3N2O3/c16-10-3-1-4-11(17)9(10)7-22-6-2-5-12(13(22)23)21-14(24)25-8-15(18,19)20/h1-6H,7-8H2,(H,21,24)
InChIKeyGNJGBXBCKMYWTD-UHFFFAOYSA-N
MW395.16 g/mol
LogP4.31
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate

2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 3480406) has the molecular formula C15H11Cl2F3N2O3 and a molecular weight of 395.16 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID3480406
Molecular FormulaC15H11Cl2F3N2O3
Molecular Weight395.16 g/mol
Exact Mass394.01
IUPAC Name2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
SMILESO=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)OCC(F)(F)F
InChIInChI=1S/C15H11Cl2F3N2O3/c16-10-3-1-4-11(17)9(10)7-22-6-2-5-12(13(22)23)21-14(24)25-8-15(18,19)20/h1-6H,7-8H2,(H,21,24)
InChIKeyGNJGBXBCKMYWTD-UHFFFAOYSA-N
XLogP4.31
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.16
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate (CID 3480406) is 2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate is O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is GNJGBXBCKMYWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O3/c16-10-3-1-4-11(17)9(10)7-22-6-2-5-12(13(22)23)21-14(24)25-8-15(18,19)20/h1-6H,7-8H2,(H,21,24).
What are the key properties of 2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 395.16 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 3480406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).