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

C18H15ClFNO3 — CID 59505666

IUPACmethyl (3R)-3-[(2-chloro-3-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cccc(F)c1Cl)CC2
InChIInChI=1S/C18H15ClFNO3/c1-24-18(23)11-6-5-10-7-8-15(13(10)9-11)21-17(22)12-3-2-4-14(20)16(12)19/h2-6,9,15H,7-8H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyBGOQYCOCKSQTCP-OAHLLOKOSA-N
MW347.77 g/mol
LogP3.68
Rot. Bonds3

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

methyl (3R)-3-[(2-chloro-3-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 59505666) has the molecular formula C18H15ClFNO3 and a molecular weight of 347.77 g/mol. Its IUPAC name is methyl (3R)-3-[(2-chloro-3-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[(2-chloro-3-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID59505666
Molecular FormulaC18H15ClFNO3
Molecular Weight347.77 g/mol
Exact Mass347.07
IUPAC Namemethyl (3R)-3-[(2-chloro-3-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cccc(F)c1Cl)CC2
InChIInChI=1S/C18H15ClFNO3/c1-24-18(23)11-6-5-10-7-8-15(13(10)9-11)21-17(22)12-3-2-4-14(20)16(12)19/h2-6,9,15H,7-8H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyBGOQYCOCKSQTCP-OAHLLOKOSA-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 (3R)-3-[(2-chloro-3-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-[(2-chloro-3-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 59505666) is methyl (3R)-3-[(2-chloro-3-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-[(2-chloro-3-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-[(2-chloro-3-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cccc(F)c1Cl)CC2.
What is the InChIKey of methyl (3R)-3-[(2-chloro-3-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is BGOQYCOCKSQTCP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15ClFNO3/c1-24-18(23)11-6-5-10-7-8-15(13(10)9-11)21-17(22)12-3-2-4-14(20)16(12)19/h2-6,9,15H,7-8H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of methyl (3R)-3-[(2-chloro-3-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-[(2-chloro-3-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 (3R)-3-[(2-chloro-3-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 59505666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).