2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid

C21H16FNO4 — CID 59314085

IUPAC2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc(F)c2ccccc2c1O
InChIInChI=1S/C21H16FNO4/c22-17-9-16(18(24)15-8-4-3-7-14(15)17)19(25)23-21(20(26)27)10-12-5-1-2-6-13(12)11-21/h1-9,24H,10-11H2,(H,23,25)(H,26,27)
InChIKeyRKIZLWKARHHNPK-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.04
Rot. Bonds3

About 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid

2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59314085) has the molecular formula C21H16FNO4 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID59314085
Molecular FormulaC21H16FNO4
Molecular Weight365.36 g/mol
Exact Mass365.11
IUPAC Name2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc(F)c2ccccc2c1O
InChIInChI=1S/C21H16FNO4/c22-17-9-16(18(24)15-8-4-3-7-14(15)17)19(25)23-21(20(26)27)10-12-5-1-2-6-13(12)11-21/h1-9,24H,10-11H2,(H,23,25)(H,26,27)
InChIKeyRKIZLWKARHHNPK-UHFFFAOYSA-N
XLogP3.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid (CID 59314085) is 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc(F)c2ccccc2c1O.
What is the InChIKey of 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is RKIZLWKARHHNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO4/c22-17-9-16(18(24)15-8-4-3-7-14(15)17)19(25)23-21(20(26)27)10-12-5-1-2-6-13(12)11-21/h1-9,24H,10-11H2,(H,23,25)(H,26,27).
What are the key properties of 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid?
2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 365.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59314085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).