benzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate

C20H21F3N2O4 — CID 60596387

IUPACbenzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C20H21F3N2O4/c1-2-10-28-17-9-8-15(20(21,22)23)11-16(17)25-18(26)12-24-19(27)29-13-14-6-4-3-5-7-14/h3-9,11H,2,10,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyATJJFCSIWKUZJA-UHFFFAOYSA-N
MW410.39 g/mol
LogP4.36
Rot. Bonds8

About benzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate

benzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate (PubChem CID 60596387) has the molecular formula C20H21F3N2O4 and a molecular weight of 410.39 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate
PubChem CID60596387
Molecular FormulaC20H21F3N2O4
Molecular Weight410.39 g/mol
Exact Mass410.15
IUPAC Namebenzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C20H21F3N2O4/c1-2-10-28-17-9-8-15(20(21,22)23)11-16(17)25-18(26)12-24-19(27)29-13-14-6-4-3-5-7-14/h3-9,11H,2,10,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyATJJFCSIWKUZJA-UHFFFAOYSA-N
XLogP4.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate (CID 60596387) is benzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate is CCCOc1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate?
The InChIKey is ATJJFCSIWKUZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4/c1-2-10-28-17-9-8-15(20(21,22)23)11-16(17)25-18(26)12-24-19(27)29-13-14-6-4-3-5-7-14/h3-9,11H,2,10,12-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of benzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate?
benzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate has a molecular weight of 410.39 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl]carbamate is sourced from PubChem (CID 60596387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).