ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate

C20H22F2N2O3 — CID 46286166

IUPACethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C20H22F2N2O3/c1-2-27-19(25)13-23-20(26)24-18(11-14-3-7-16(21)8-4-14)12-15-5-9-17(22)10-6-15/h3-10,18H,2,11-13H2,1H3,(H2,23,24,26)
InChIKeyIYUFSPJIQSWMIQ-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.98
Rot. Bonds8

About ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate

ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate (PubChem CID 46286166) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate
PubChem CID46286166
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Nameethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C20H22F2N2O3/c1-2-27-19(25)13-23-20(26)24-18(11-14-3-7-16(21)8-4-14)12-15-5-9-17(22)10-6-15/h3-10,18H,2,11-13H2,1H3,(H2,23,24,26)
InChIKeyIYUFSPJIQSWMIQ-UHFFFAOYSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoylamino]acetate
CID 3473531
ethyl 3-amino-4-(4-fluorophenyl)butanoate
CID 82351777
ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 60638891
ethyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]acetate
CID 6269553
methyl (2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-(4-nitrophenyl)propanoate
CID 67796922
4-[[2-(4-fluorophenyl)-2-hydroxypropyl]carbamoylamino]-5-phenylpentanoic acid
CID 122028240
ethyl (2S)-2-[(4-fluorophenyl)methyl]butanoate
CID 155002155
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 60544381
ethyl 2-[(2,2-difluoroacetyl)amino]acetate
CID 103514329
N-[1-(4-fluorophenyl)butan-2-yl]acetamide
CID 167041823
ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
CID 17174428

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate (CID 46286166) is ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NC(Cc1ccc(F)cc1)Cc1ccc(F)cc1.
What is the InChIKey of ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate?
The InChIKey is IYUFSPJIQSWMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-2-27-19(25)13-23-20(26)24-18(11-14-3-7-16(21)8-4-14)12-15-5-9-17(22)10-6-15/h3-10,18H,2,11-13H2,1H3,(H2,23,24,26).
What are the key properties of ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate?
ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate has a molecular weight of 376.40 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate is sourced from PubChem (CID 46286166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).