3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid

C17H13ClFNO3 — CID 59505624

IUPAC3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(NC(=O)c1c(F)cccc1Cl)CC2
InChIInChI=1S/C17H13ClFNO3/c18-12-2-1-3-13(19)15(12)16(21)20-14-7-6-9-4-5-10(17(22)23)8-11(9)14/h1-5,8,14H,6-7H2,(H,20,21)(H,22,23)
InChIKeyKHGRYHXYCOCUKN-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.59
Rot. Bonds3

About 3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid

3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59505624) has the molecular formula C17H13ClFNO3 and a molecular weight of 333.75 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59505624
Molecular FormulaC17H13ClFNO3
Molecular Weight333.75 g/mol
Exact Mass333.06
IUPAC Name3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(NC(=O)c1c(F)cccc1Cl)CC2
InChIInChI=1S/C17H13ClFNO3/c18-12-2-1-3-13(19)15(12)16(21)20-14-7-6-9-4-5-10(17(22)23)8-11(9)14/h1-5,8,14H,6-7H2,(H,20,21)(H,22,23)
InChIKeyKHGRYHXYCOCUKN-UHFFFAOYSA-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 3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59505624) is 3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(NC(=O)c1c(F)cccc1Cl)CC2.
What is the InChIKey of 3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is KHGRYHXYCOCUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3/c18-12-2-1-3-13(19)15(12)16(21)20-14-7-6-9-4-5-10(17(22)23)8-11(9)14/h1-5,8,14H,6-7H2,(H,20,21)(H,22,23).
What are the key properties of 3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
3-[(2-chloro-6-fluorobenzoyl)amino]-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 3-[(2-chloro-6-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59505624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).