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

C18H15ClFNO3 — CID 59505189

IUPACmethyl (3R)-3-[(2-chloro-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cc(F)ccc1Cl)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(20)5-6-15(14)19/h2-3,5-6,8-9,16H,4,7H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyNUALYLSTCZUJDM-MRXNPFEDSA-N
MW347.77 g/mol
LogP3.68
Rot. Bonds3

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

methyl (3R)-3-[(2-chloro-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 59505189) has the molecular formula C18H15ClFNO3 and a molecular weight of 347.77 g/mol. Its IUPAC name is methyl (3R)-3-[(2-chloro-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[(2-chloro-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID59505189
Molecular FormulaC18H15ClFNO3
Molecular Weight347.77 g/mol
Exact Mass347.07
IUPAC Namemethyl (3R)-3-[(2-chloro-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cc(F)ccc1Cl)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(20)5-6-15(14)19/h2-3,5-6,8-9,16H,4,7H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyNUALYLSTCZUJDM-MRXNPFEDSA-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-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-[(2-chloro-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 59505189) is methyl (3R)-3-[(2-chloro-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-[(2-chloro-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-[(2-chloro-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cc(F)ccc1Cl)CC2.
What is the InChIKey of methyl (3R)-3-[(2-chloro-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is NUALYLSTCZUJDM-MRXNPFEDSA-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(20)5-6-15(14)19/h2-3,5-6,8-9,16H,4,7H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of methyl (3R)-3-[(2-chloro-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-[(2-chloro-5-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-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 59505189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).