(3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid

C17H14FNO3 — CID 59505323

IUPAC(3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1F)CC2
InChIInChI=1S/C17H14FNO3/c18-14-4-2-1-3-12(14)16(20)19-15-8-7-10-5-6-11(17(21)22)9-13(10)15/h1-6,9,15H,7-8H2,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyQHQGVQKAFVOQKI-OAHLLOKOSA-N
MW299.30 g/mol
LogP2.94
Rot. Bonds3

About (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid

(3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59505323) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59505323
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name(3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1F)CC2
InChIInChI=1S/C17H14FNO3/c18-14-4-2-1-3-12(14)16(20)19-15-8-7-10-5-6-11(17(21)22)9-13(10)15/h1-6,9,15H,7-8H2,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyQHQGVQKAFVOQKI-OAHLLOKOSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59505323) is (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1F)CC2.
What is the InChIKey of (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is QHQGVQKAFVOQKI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-14-4-2-1-3-12(14)16(20)19-15-8-7-10-5-6-11(17(21)22)9-13(10)15/h1-6,9,15H,7-8H2,(H,19,20)(H,21,22)/t15-/m1/s1.
What are the key properties of (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
(3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 299.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59505323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).