methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate

C23H21FN2O4 — CID 3705496

IUPACmethyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H21FN2O4/c1-29-22(27)21(15-16-7-9-17(24)10-8-16)26-23(28)25-18-11-13-20(14-12-18)30-19-5-3-2-4-6-19/h2-14,21H,15H2,1H3,(H2,25,26,28)
InChIKeySNOPLOWHCIHJGA-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.52
Rot. Bonds7

About methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate

methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate (PubChem CID 3705496) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
PubChem CID3705496
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Namemethyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H21FN2O4/c1-29-22(27)21(15-16-7-9-17(24)10-8-16)26-23(28)25-18-11-13-20(14-12-18)30-19-5-3-2-4-6-19/h2-14,21H,15H2,1H3,(H2,25,26,28)
InChIKeySNOPLOWHCIHJGA-UHFFFAOYSA-N
XLogP4.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate?
The IUPAC name of methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate (CID 3705496) is methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate is COC(=O)C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate?
The InChIKey is SNOPLOWHCIHJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-29-22(27)21(15-16-7-9-17(24)10-8-16)26-23(28)25-18-11-13-20(14-12-18)30-19-5-3-2-4-6-19/h2-14,21H,15H2,1H3,(H2,25,26,28).
What are the key properties of methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate?
methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate has a molecular weight of 408.43 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 3705496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).