ethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate

C18H17F3N2O3 — CID 23511916

IUPACethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-2-26-16(24)11-12-7-9-13(10-8-12)22-17(25)23-15-6-4-3-5-14(15)18(19,20)21/h3-10H,2,11H2,1H3,(H2,22,23,25)
InChIKeyLTUPLEOLIWNELB-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.45
Rot. Bonds5

About ethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate

ethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate (PubChem CID 23511916) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is ethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate
PubChem CID23511916
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Nameethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-2-26-16(24)11-12-7-9-13(10-8-12)22-17(25)23-15-6-4-3-5-14(15)18(19,20)21/h3-10H,2,11H2,1H3,(H2,22,23,25)
InChIKeyLTUPLEOLIWNELB-UHFFFAOYSA-N
XLogP4.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[4-(1-adamantylcarbamoylamino)phenyl]acetate
CID 44582487
Methyl (4-{[(benzylamino)carbonothioyl]amino}phenyl)acetate
CID 941421
Methyl (4-{[(4-fluorobenzyl)carbamothioyl]amino}phenyl)acetate
CID 899258
ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate
CID 3724784
Ethyl 2-(4-{[(1-acetylpiperidin-4-YL)(propan-2-YL)carbamoyl]amino}phenyl)acetate
CID 16016747
Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate
CID 972807
6,7-Difluoroheptyl 2-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]acetate
CID 155510468
4,5-Difluoropentyl 2-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]acetate
CID 155524862
8,9-Difluorononyl 2-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]acetate
CID 155529516
3,4-Difluorobutyl 2-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]acetate
CID 155535835
7,8-Difluorooctyl 2-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]acetate
CID 155538302
5,6-Difluorohexyl 2-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]acetate
CID 155543782

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate (CID 23511916) is ethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate?
The InChIKey is LTUPLEOLIWNELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-2-26-16(24)11-12-7-9-13(10-8-12)22-17(25)23-15-6-4-3-5-14(15)18(19,20)21/h3-10H,2,11H2,1H3,(H2,22,23,25).
What are the key properties of ethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate?
ethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate has a molecular weight of 366.34 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetate is sourced from PubChem (CID 23511916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).