methyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate

C18H15ClFNO3 — CID 59505361

IUPACmethyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(NC(=O)c1cc(Cl)ccc1F)CC2
InChIInChI=1S/C18H15ClFNO3/c1-24-18(23)11-3-2-10-4-7-16(13(10)8-11)21-17(22)14-9-12(19)5-6-15(14)20/h2-3,5-6,8-9,16H,4,7H2,1H3,(H,21,22)
InChIKeyMYCIDYNRWLFKEO-UHFFFAOYSA-N
MW347.77 g/mol
LogP3.68
Rot. Bonds3

About methyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate

methyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 59505361) has the molecular formula C18H15ClFNO3 and a molecular weight of 347.77 g/mol. Its IUPAC name is methyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID59505361
Molecular FormulaC18H15ClFNO3
Molecular Weight347.77 g/mol
Exact Mass347.07
IUPAC Namemethyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(NC(=O)c1cc(Cl)ccc1F)CC2
InChIInChI=1S/C18H15ClFNO3/c1-24-18(23)11-3-2-10-4-7-16(13(10)8-11)21-17(22)14-9-12(19)5-6-15(14)20/h2-3,5-6,8-9,16H,4,7H2,1H3,(H,21,22)
InChIKeyMYCIDYNRWLFKEO-UHFFFAOYSA-N
XLogP3.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 59505361) is methyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)C(NC(=O)c1cc(Cl)ccc1F)CC2.
What is the InChIKey of methyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is MYCIDYNRWLFKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO3/c1-24-18(23)11-3-2-10-4-7-16(13(10)8-11)21-17(22)14-9-12(19)5-6-15(14)20/h2-3,5-6,8-9,16H,4,7H2,1H3,(H,21,22).
What are the key properties of methyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 347.77 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chloro-2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 59505361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).