3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid

C18H18FNO3 — CID 3598425

IUPAC3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid
SMILESCC(c1ccccc1)C(CC(=O)O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c1-12(13-5-3-2-4-6-13)16(11-17(21)22)18(23)20-15-9-7-14(19)8-10-15/h2-10,12,16H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyLUZOPIUNJBJASD-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.66
Rot. Bonds6

About 3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid

3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid (PubChem CID 3598425) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid
PubChem CID3598425
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid
SMILESCC(c1ccccc1)C(CC(=O)O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c1-12(13-5-3-2-4-6-13)16(11-17(21)22)18(23)20-15-9-7-14(19)8-10-15/h2-10,12,16H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyLUZOPIUNJBJASD-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid?
The IUPAC name of 3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid (CID 3598425) is 3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid?
The canonical SMILES for 3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid is CC(c1ccccc1)C(CC(=O)O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid?
The InChIKey is LUZOPIUNJBJASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-12(13-5-3-2-4-6-13)16(11-17(21)22)18(23)20-15-9-7-14(19)8-10-15/h2-10,12,16H,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid?
3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid has a molecular weight of 315.34 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)carbamoyl]-4-phenylpentanoic acid is sourced from PubChem (CID 3598425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).