2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid

C18H19FN2O3 — CID 4692722

IUPAC2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid
SMILESO=C(NCCc1ccc(F)cc1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H19FN2O3/c19-15-8-6-13(7-9-15)10-11-20-18(24)21-16(17(22)23)12-14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,22,23)(H2,20,21,24)
InChIKeyYIUIGFKCZIKZMZ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.36
Rot. Bonds7

About 2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid

2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid (PubChem CID 4692722) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid
PubChem CID4692722
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid
SMILESO=C(NCCc1ccc(F)cc1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H19FN2O3/c19-15-8-6-13(7-9-15)10-11-20-18(24)21-16(17(22)23)12-14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,22,23)(H2,20,21,24)
InChIKeyYIUIGFKCZIKZMZ-UHFFFAOYSA-N
XLogP2.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid (CID 4692722) is 2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid is O=C(NCCc1ccc(F)cc1)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid?
The InChIKey is YIUIGFKCZIKZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-15-8-6-13(7-9-15)10-11-20-18(24)21-16(17(22)23)12-14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,22,23)(H2,20,21,24).
What are the key properties of 2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid?
2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid has a molecular weight of 330.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 4692722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).