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

C17H17F3N2O2 — CID 10427232

IUPACethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3N2O2/c1-2-24-16(23)22-15-7-3-12(4-8-15)11-21-14-9-5-13(6-10-14)17(18,19)20/h3-10,21H,2,11H2,1H3,(H,22,23)
InChIKeyGCFCPEZENZTFAY-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.89
Rot. Bonds5

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

ethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate (PubChem CID 10427232) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is ethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
PubChem CID10427232
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Nameethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3N2O2/c1-2-24-16(23)22-15-7-3-12(4-8-15)11-21-14-9-5-13(6-10-14)17(18,19)20/h3-10,21H,2,11H2,1H3,(H,22,23)
InChIKeyGCFCPEZENZTFAY-UHFFFAOYSA-N
XLogP4.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate (CID 10427232) is ethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate is CCOC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of ethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The InChIKey is GCFCPEZENZTFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-2-24-16(23)22-15-7-3-12(4-8-15)11-21-14-9-5-13(6-10-14)17(18,19)20/h3-10,21H,2,11H2,1H3,(H,22,23).
What are the key properties of ethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
ethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate has a molecular weight of 338.33 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate is sourced from PubChem (CID 10427232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).