ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate

C19H19NO3 — CID 17492553

IUPACethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H19NO3/c1-2-23-19(22)16-8-3-4-9-17(16)20-18(21)15-11-10-13-6-5-7-14(13)12-15/h3-4,8-12H,2,5-7H2,1H3,(H,20,21)
InChIKeyFPIJLGOKIQYPAD-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.60
Rot. Bonds4

About ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate

ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate (PubChem CID 17492553) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
PubChem CID17492553
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H19NO3/c1-2-23-19(22)16-8-3-4-9-17(16)20-18(21)15-11-10-13-6-5-7-14(13)12-15/h3-4,8-12H,2,5-7H2,1H3,(H,20,21)
InChIKeyFPIJLGOKIQYPAD-UHFFFAOYSA-N
XLogP3.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704068
ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 9228157
N-[2-(2-aminoethylcarbamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 120604023
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704037
ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzoate;hydrochloride
CID 163325539
ethyl 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylcarbamoylamino]benzoate
CID 112974963
N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703574
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1-benzofuran-2-carboxylate
CID 23884551

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate?
The IUPAC name of ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate (CID 17492553) is ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate?
The InChIKey is FPIJLGOKIQYPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-23-19(22)16-8-3-4-9-17(16)20-18(21)15-11-10-13-6-5-7-14(13)12-15/h3-4,8-12H,2,5-7H2,1H3,(H,20,21).
What are the key properties of ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate?
ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate has a molecular weight of 309.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate is sourced from PubChem (CID 17492553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).