[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate

C20H20ClNO4 — CID 8983015

IUPAC[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
SMILESC[C@H](OC(=O)COc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H20ClNO4/c1-13(26-19(23)12-25-18-7-3-6-16(21)11-18)20(24)22-17-9-8-14-4-2-5-15(14)10-17/h3,6-11,13H,2,4-5,12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyHVJAJVURQYIYBY-ZDUSSCGKSA-N
MW373.84 g/mol
LogP3.78
Rot. Bonds6

About [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate

[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate (PubChem CID 8983015) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
PubChem CID8983015
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
SMILESC[C@H](OC(=O)COc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H20ClNO4/c1-13(26-19(23)12-25-18-7-3-6-16(21)11-18)20(24)22-17-9-8-14-4-2-5-15(14)10-17/h3,6-11,13H,2,4-5,12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyHVJAJVURQYIYBY-ZDUSSCGKSA-N
XLogP3.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7578295
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 55418829
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 8982728
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 55422486
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 8000726
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234990
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 8982982
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 46623604
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7902922
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 7854995
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 8988355
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4803026

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate?
The IUPAC name of [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate (CID 8983015) is [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate?
The canonical SMILES for [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate is C[C@H](OC(=O)COc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate?
The InChIKey is HVJAJVURQYIYBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-13(26-19(23)12-25-18-7-3-6-16(21)11-18)20(24)22-17-9-8-14-4-2-5-15(14)10-17/h3,6-11,13H,2,4-5,12H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate?
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate has a molecular weight of 373.84 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate is sourced from PubChem (CID 8983015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).