phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate

C17H16F3NO4 — CID 66876567

IUPACphenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate
SMILESCOCCOc1cc(NC(=O)Oc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO4/c1-23-7-8-24-15-10-12(17(18,19)20)9-13(11-15)21-16(22)25-14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3,(H,21,22)
InChIKeyUSLYFFWVTFLIBI-UHFFFAOYSA-N
MW355.31 g/mol
LogP4.34
Rot. Bonds6

About phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate

phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate (PubChem CID 66876567) has the molecular formula C17H16F3NO4 and a molecular weight of 355.31 g/mol. Its IUPAC name is phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate
PubChem CID66876567
Molecular FormulaC17H16F3NO4
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Namephenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate
SMILESCOCCOc1cc(NC(=O)Oc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO4/c1-23-7-8-24-15-10-12(17(18,19)20)9-13(11-15)21-16(22)25-14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3,(H,21,22)
InChIKeyUSLYFFWVTFLIBI-UHFFFAOYSA-N
XLogP4.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

phenyl N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]carbamate
CID 2820524
N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 108795497
2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate
CID 65173322
3-[3-(phenoxycarbonylamino)-5-(trifluoromethyl)phenoxy]azetidine-1-carboxylic acid
CID 90019913
phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate
CID 130424447
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate
CID 118233827
[3-(methoxycarbothioylamino)phenyl] N-[3-(trifluoromethyl)phenyl]carbamate
CID 54156007
phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate
CID 164584375
[3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate
CID 4246326
N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
CID 1371534
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate (CID 66876567) is phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate is COCCOc1cc(NC(=O)Oc2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate?
The InChIKey is USLYFFWVTFLIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4/c1-23-7-8-24-15-10-12(17(18,19)20)9-13(11-15)21-16(22)25-14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3,(H,21,22).
What are the key properties of phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate?
phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate has a molecular weight of 355.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 66876567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).