2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid

C20H18FNO5 — CID 22042531

IUPAC2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid
SMILESCOc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)C(O)CC3)c(F)c2)c1
InChIInChI=1S/C20H18FNO5/c1-27-13-4-2-3-11(9-13)12-5-7-16(15(21)10-12)22-19(24)14-6-8-17(23)18(14)20(25)26/h2-5,7,9-10,17,23H,6,8H2,1H3,(H,22,24)(H,25,26)
InChIKeyOEDWTWLCDASQHI-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.98
Rot. Bonds5

About 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid

2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid (PubChem CID 22042531) has the molecular formula C20H18FNO5 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid
PubChem CID22042531
Molecular FormulaC20H18FNO5
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid
SMILESCOc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)C(O)CC3)c(F)c2)c1
InChIInChI=1S/C20H18FNO5/c1-27-13-4-2-3-11(9-13)12-5-7-16(15(21)10-12)22-19(24)14-6-8-17(23)18(14)20(25)26/h2-5,7,9-10,17,23H,6,8H2,1H3,(H,22,24)(H,25,26)
InChIKeyOEDWTWLCDASQHI-UHFFFAOYSA-N
XLogP2.98
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid (CID 22042531) is 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid is COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)C(O)CC3)c(F)c2)c1.
What is the InChIKey of 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid?
The InChIKey is OEDWTWLCDASQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5/c1-27-13-4-2-3-11(9-13)12-5-7-16(15(21)10-12)22-19(24)14-6-8-17(23)18(14)20(25)26/h2-5,7,9-10,17,23H,6,8H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid?
2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid has a molecular weight of 371.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]-5-hydroxycyclopentene-1-carboxylic acid is sourced from PubChem (CID 22042531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).