[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate

C21H20ClNO4 — CID 7564059

IUPAC[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H20ClNO4/c1-13(23-20(25)15-7-9-18(22)10-8-15)21(26)27-12-19(24)17-6-5-14-3-2-4-16(14)11-17/h5-11,13H,2-4,12H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyFWHBVVWVASPLEL-ZDUSSCGKSA-N
MW385.85 g/mol
LogP3.37
Rot. Bonds6

About [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 7564059) has the molecular formula C21H20ClNO4 and a molecular weight of 385.85 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
PubChem CID7564059
Molecular FormulaC21H20ClNO4
Molecular Weight385.85 g/mol
Exact Mass385.11
IUPAC Name[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H20ClNO4/c1-13(23-20(25)15-7-9-18(22)10-8-15)21(26)27-12-19(24)17-6-5-14-3-2-4-16(14)11-17/h5-11,13H,2-4,12H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyFWHBVVWVASPLEL-ZDUSSCGKSA-N
XLogP3.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate with MolForge

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Related Compounds

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570866
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2R)-2-[(3-methylbenzoyl)amino]propanoate
CID 39905970
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 46793439
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7564000
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] (2S)-2-(butylsulfonylamino)propanoate
CID 8746821
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate
CID 8753386
4-chloro-N-propan-2-ylbenzamide
CID 24045
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563605
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 7506640
1-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 43411846
[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 2-benzamidopropanoate
CID 55373885

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate (CID 7564059) is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate is C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is FWHBVVWVASPLEL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H20ClNO4/c1-13(23-20(25)15-7-9-18(22)10-8-15)21(26)27-12-19(24)17-6-5-14-3-2-4-16(14)11-17/h5-11,13H,2-4,12H2,1H3,(H,23,25)/t13-/m0/s1.
What are the key properties of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 385.85 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 7564059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).