ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate

C19H19F3N2O3 — CID 7129796

IUPACethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate
SMILESCCOC(=O)[C@](NC(=O)Nc1ccccc1C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H19F3N2O3/c1-3-27-16(25)18(19(20,21)22,14-10-5-4-6-11-14)24-17(26)23-15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3,(H2,23,24,26)/t18-/m1/s1
InChIKeyAIWQYFCYHLHMCE-GOSISDBHSA-N
MW380.37 g/mol
LogP4.14
Rot. Bonds5

About ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate

ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate (PubChem CID 7129796) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate
PubChem CID7129796
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Nameethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate
SMILESCCOC(=O)[C@](NC(=O)Nc1ccccc1C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H19F3N2O3/c1-3-27-16(25)18(19(20,21)22,14-10-5-4-6-11-14)24-17(26)23-15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3,(H2,23,24,26)/t18-/m1/s1
InChIKeyAIWQYFCYHLHMCE-GOSISDBHSA-N
XLogP4.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate
CID 7129795
ethyl 3,3,3-trifluoro-2-[[2-methyl-4-(1,1,1-trifluoro-2-hydroxy-3-methoxy-3-oxopropan-2-yl)phenyl]carbamoylamino]-2-phenylpropanoate
CID 4641078
ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate
CID 2968364
ethyl (2S)-3,3,3-trifluoro-2-(4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]propanoate
CID 7129810
1-(2-methylphenyl)-3-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]urea
CID 95367469
ethyl 3,3,3-trifluoro-2-(4-fluorophenyl)-2-[(4-methyl-2-pyridinyl)carbamoylamino]propanoate
CID 5159228
ethyl 3,3,3-trifluoro-2-(4-fluorophenyl)-2-[[4-(1,1,1-trifluoro-2-hydroxy-3-methoxy-3-oxopropan-2-yl)phenyl]carbamoylamino]propanoate
CID 3515626
1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea
CID 71810787
ethyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 156904560
ethyl (2R)-3,3,3-trifluoro-2-(2-methylanilino)-2-(propan-2-yloxycarbonylamino)propanoate
CID 6583146
ethyl 3,3,3-trifluoro-2-methyl-2-phenylpropanoate;2,2,2-trifluoroacetic acid
CID 174398683
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
CID 111754129

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate?
The IUPAC name of ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate (CID 7129796) is ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate.
What is the SMILES notation for ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate?
The canonical SMILES for ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate is CCOC(=O)[C@](NC(=O)Nc1ccccc1C)(c1ccccc1)C(F)(F)F.
What is the InChIKey of ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate?
The InChIKey is AIWQYFCYHLHMCE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-3-27-16(25)18(19(20,21)22,14-10-5-4-6-11-14)24-17(26)23-15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3,(H2,23,24,26)/t18-/m1/s1.
What are the key properties of ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate?
ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate has a molecular weight of 380.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate is sourced from PubChem (CID 7129796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).