ethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate

C19H21F3N2O2 — CID 11523476

IUPACethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1c(C)cc(CNc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C19H21F3N2O2/c1-4-26-18(25)24-17-12(2)9-14(10-13(17)3)11-23-16-7-5-15(6-8-16)19(20,21)22/h5-10,23H,4,11H2,1-3H3,(H,24,25)
InChIKeyIECMFWSPQDIVPW-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.50
Rot. Bonds5

About ethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate

ethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate (PubChem CID 11523476) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is ethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
PubChem CID11523476
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Nameethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1c(C)cc(CNc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C19H21F3N2O2/c1-4-26-18(25)24-17-12(2)9-14(10-13(17)3)11-23-16-7-5-15(6-8-16)19(20,21)22/h5-10,23H,4,11H2,1-3H3,(H,24,25)
InChIKeyIECMFWSPQDIVPW-UHFFFAOYSA-N
XLogP5.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The IUPAC name of ethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate (CID 11523476) is ethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate is CCOC(=O)Nc1c(C)cc(CNc2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of ethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The InChIKey is IECMFWSPQDIVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-4-26-18(25)24-17-12(2)9-14(10-13(17)3)11-23-16-7-5-15(6-8-16)19(20,21)22/h5-10,23H,4,11H2,1-3H3,(H,24,25).
What are the key properties of ethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
ethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate has a molecular weight of 366.38 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate is sourced from PubChem (CID 11523476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).