ethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate

C18H19F3N2O2 — CID 11725546

IUPACethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C18H19F3N2O2/c1-3-25-17(24)23-16-9-4-13(10-12(16)2)11-22-15-7-5-14(6-8-15)18(19,20)21/h4-10,22H,3,11H2,1-2H3,(H,23,24)
InChIKeyYETJUQCNPAAANG-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.19
Rot. Bonds5

About ethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate

ethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate (PubChem CID 11725546) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is ethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
PubChem CID11725546
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Nameethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C18H19F3N2O2/c1-3-25-17(24)23-16-9-4-13(10-12(16)2)11-22-15-7-5-14(6-8-15)18(19,20)21/h4-10,22H,3,11H2,1-2H3,(H,23,24)
InChIKeyYETJUQCNPAAANG-UHFFFAOYSA-N
XLogP5.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The IUPAC name of ethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate (CID 11725546) is ethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate is CCOC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of ethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The InChIKey is YETJUQCNPAAANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-3-25-17(24)23-16-9-4-13(10-12(16)2)11-22-15-7-5-14(6-8-15)18(19,20)21/h4-10,22H,3,11H2,1-2H3,(H,23,24).
What are the key properties of ethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
ethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate has a molecular weight of 352.36 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-methyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate is sourced from PubChem (CID 11725546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).