[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate

C19H18ClNO3 — CID 95795793

IUPAC[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1Cl)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C19H18ClNO3/c20-16-8-4-2-6-14(16)11-19(23)24-12-18(22)21-17-10-9-13-5-1-3-7-15(13)17/h1-8,17H,9-12H2,(H,21,22)/t17-/m1/s1
InChIKeyLSJRTXBVOXFYKI-QGZVFWFLSA-N
MW343.81 g/mol
LogP3.23
Rot. Bonds5

About [2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate

[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate (PubChem CID 95795793) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is [2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
PubChem CID95795793
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1Cl)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C19H18ClNO3/c20-16-8-4-2-6-14(16)11-19(23)24-12-18(22)21-17-10-9-13-5-1-3-7-15(13)17/h1-8,17H,9-12H2,(H,21,22)/t17-/m1/s1
InChIKeyLSJRTXBVOXFYKI-QGZVFWFLSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2-fluorophenyl)acetate
CID 2544531
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2-fluorophenyl)acetate
CID 2544534
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-naphthalen-1-ylacetate
CID 2625137
[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 95795799
[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822767
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-cyclopentylacetate
CID 23848552
2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 25493489
[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 95795756
[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-iodobenzoate
CID 95795315
3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798621
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxopentanoate
CID 8613358

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The IUPAC name of [2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate (CID 95795793) is [2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate.
What is the SMILES notation for [2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The canonical SMILES for [2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate is O=C(COC(=O)Cc1ccccc1Cl)N[C@@H]1CCc2ccccc21.
What is the InChIKey of [2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The InChIKey is LSJRTXBVOXFYKI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18ClNO3/c20-16-8-4-2-6-14(16)11-19(23)24-12-18(22)21-17-10-9-13-5-1-3-7-15(13)17/h1-8,17H,9-12H2,(H,21,22)/t17-/m1/s1.
What are the key properties of [2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate?
[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate has a molecular weight of 343.81 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate is sourced from PubChem (CID 95795793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).