4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid

C19H14FNO5 — CID 23647309

IUPAC4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid
SMILESCOc1cccc(-c2ccc(NC(=O)c3cocc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C19H14FNO5/c1-25-13-4-2-3-11(7-13)12-5-6-17(16(20)8-12)21-18(22)14-9-26-10-15(14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyNMZKMXURRGQBPG-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.04
Rot. Bonds5

About 4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid

4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 23647309) has the molecular formula C19H14FNO5 and a molecular weight of 355.32 g/mol. Its IUPAC name is 4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid
PubChem CID23647309
Molecular FormulaC19H14FNO5
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid
SMILESCOc1cccc(-c2ccc(NC(=O)c3cocc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C19H14FNO5/c1-25-13-4-2-3-11(7-13)12-5-6-17(16(20)8-12)21-18(22)14-9-26-10-15(14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyNMZKMXURRGQBPG-UHFFFAOYSA-N
XLogP4.04
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid (CID 23647309) is 4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid is COc1cccc(-c2ccc(NC(=O)c3cocc3C(=O)O)c(F)c2)c1.
What is the InChIKey of 4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is NMZKMXURRGQBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO5/c1-25-13-4-2-3-11(7-13)12-5-6-17(16(20)8-12)21-18(22)14-9-26-10-15(14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid?
4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 355.32 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 23647309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).