ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate

C17H16F3NO3 — CID 30011094

IUPACethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO3/c1-2-23-16(22)21-13-7-5-8-14(10-13)24-11-12-6-3-4-9-15(12)17(18,19)20/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyVLXZNRVNRFBNSW-UHFFFAOYSA-N
MW339.31 g/mol
LogP4.85
Rot. Bonds5

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

ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate (PubChem CID 30011094) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
PubChem CID30011094
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Nameethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO3/c1-2-23-16(22)21-13-7-5-8-14(10-13)24-11-12-6-3-4-9-15(12)17(18,19)20/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyVLXZNRVNRFBNSW-UHFFFAOYSA-N
XLogP4.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 156784847
N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
CID 86997534
ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate
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CID 175149197
2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
CID 78885330
ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate
CID 30011225
ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate
CID 29183042
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
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ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
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ethyl N-[3-(difluoromethoxy)phenyl]carbamate
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ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate (CID 30011094) is ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate is CCOC(=O)Nc1cccc(OCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate?
The InChIKey is VLXZNRVNRFBNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-2-23-16(22)21-13-7-5-8-14(10-13)24-11-12-6-3-4-9-15(12)17(18,19)20/h3-10H,2,11H2,1H3,(H,21,22).
What are the key properties of ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate?
ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate has a molecular weight of 339.31 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate is sourced from PubChem (CID 30011094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).