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

C18H16FNO3 — CID 66829240

IUPAC(1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1ccccc1C(=O)N[C@@H]1CCc2cc(C(=O)O)c(F)cc21
InChIInChI=1S/C18H16FNO3/c1-10-4-2-3-5-12(10)17(21)20-16-7-6-11-8-14(18(22)23)15(19)9-13(11)16/h2-5,8-9,16H,6-7H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyZOZQMDMBAHYSBC-MRXNPFEDSA-N
MW313.33 g/mol
LogP3.25
Rot. Bonds3

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

(1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 66829240) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is (1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID66829240
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name(1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1ccccc1C(=O)N[C@@H]1CCc2cc(C(=O)O)c(F)cc21
InChIInChI=1S/C18H16FNO3/c1-10-4-2-3-5-12(10)17(21)20-16-7-6-11-8-14(18(22)23)15(19)9-13(11)16/h2-5,8-9,16H,6-7H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyZOZQMDMBAHYSBC-MRXNPFEDSA-N
XLogP3.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 66829240) is (1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1ccccc1C(=O)N[C@@H]1CCc2cc(C(=O)O)c(F)cc21.
What is the InChIKey of (1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is ZOZQMDMBAHYSBC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-10-4-2-3-5-12(10)17(21)20-16-7-6-11-8-14(18(22)23)15(19)9-13(11)16/h2-5,8-9,16H,6-7H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1.
What are the key properties of (1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
(1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 313.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-fluoro-1-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 66829240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).