phenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate

C19H13F3N2O2 — CID 141477805

IUPACphenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESO=C(Oc1ccccc1)N(c1ccccc1)c1cccnc1C(F)(F)F
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)17-16(12-7-13-23-17)24(14-8-3-1-4-9-14)18(25)26-15-10-5-2-6-11-15/h1-13H
InChIKeyYTZIJLFGZXPYBJ-UHFFFAOYSA-N
MW358.32 g/mol
LogP5.44
Rot. Bonds3

About phenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate

phenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate (PubChem CID 141477805) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is phenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate
PubChem CID141477805
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC Namephenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESO=C(Oc1ccccc1)N(c1ccccc1)c1cccnc1C(F)(F)F
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)17-16(12-7-13-23-17)24(14-8-3-1-4-9-14)18(25)26-15-10-5-2-6-11-15/h1-13H
InChIKeyYTZIJLFGZXPYBJ-UHFFFAOYSA-N
XLogP5.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid
CID 118571309
phenyl-[2-(trifluoromethyl)phenyl]carbamic acid
CID 66619011
2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride
CID 54366866
phenyl 2,2-difluoro-2-methylsulfanylacetate
CID 101183893
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate
CID 110723371
[sulfino(trifluoromethyl)carbamoyl]oxybenzene
CID 165129205
N-[4-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]oxyphenyl]-N-[2-(trifluoromethyl)-3-pyridinyl]azetidine-3-carboxamide
CID 90013081
phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate
CID 66876806
phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate
CID 14207591
3-hydroxysulfanyl-2-(trifluoromethyl)pyridine
CID 164906047
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629

Frequently Asked Questions

What is the IUPAC name of phenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate?
The IUPAC name of phenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate (CID 141477805) is phenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate?
The canonical SMILES for phenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate is O=C(Oc1ccccc1)N(c1ccccc1)c1cccnc1C(F)(F)F.
What is the InChIKey of phenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate?
The InChIKey is YTZIJLFGZXPYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c20-19(21,22)17-16(12-7-13-23-17)24(14-8-3-1-4-9-14)18(25)26-15-10-5-2-6-11-15/h1-13H.
What are the key properties of phenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate?
phenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate has a molecular weight of 358.32 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-phenyl-N-[2-(trifluoromethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 141477805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).