(3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid

C17H13ClFNO3 — CID 59505626

IUPAC(3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1cc2c(cc1F)CC[C@H]2NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H13ClFNO3/c18-13-4-2-1-3-10(13)16(21)20-15-6-5-9-7-14(19)12(17(22)23)8-11(9)15/h1-4,7-8,15H,5-6H2,(H,20,21)(H,22,23)/t15-/m1/s1
InChIKeyGYDNKDLSBCJSGM-OAHLLOKOSA-N
MW333.75 g/mol
LogP3.59
Rot. Bonds3

About (3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid

(3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59505626) has the molecular formula C17H13ClFNO3 and a molecular weight of 333.75 g/mol. Its IUPAC name is (3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59505626
Molecular FormulaC17H13ClFNO3
Molecular Weight333.75 g/mol
Exact Mass333.06
IUPAC Name(3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1cc2c(cc1F)CC[C@H]2NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H13ClFNO3/c18-13-4-2-1-3-10(13)16(21)20-15-6-5-9-7-14(19)12(17(22)23)8-11(9)15/h1-4,7-8,15H,5-6H2,(H,20,21)(H,22,23)/t15-/m1/s1
InChIKeyGYDNKDLSBCJSGM-OAHLLOKOSA-N
XLogP3.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59505626) is (3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1cc2c(cc1F)CC[C@H]2NC(=O)c1ccccc1Cl.
What is the InChIKey of (3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is GYDNKDLSBCJSGM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H13ClFNO3/c18-13-4-2-1-3-10(13)16(21)20-15-6-5-9-7-14(19)12(17(22)23)8-11(9)15/h1-4,7-8,15H,5-6H2,(H,20,21)(H,22,23)/t15-/m1/s1.
What are the key properties of (3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid?
(3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 333.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59505626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).