2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone

C19H24ClNO4 — CID 118782338

IUPAC2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21
InChIInChI=1S/C19H24ClNO4/c20-16-4-2-1-3-13(16)9-18(22)21-10-14-11-25-8-6-19(14,23)15-12-24-7-5-17(15)21/h1-4,14-15,17,23H,5-12H2/t14-,15+,17-,19-/m0/s1
InChIKeyZUFDVXWYNVNBQF-HIRMHNASSA-N
MW365.86 g/mol
LogP1.90
Rot. Bonds2

About 2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone

2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone (PubChem CID 118782338) has the molecular formula C19H24ClNO4 and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone
PubChem CID118782338
Molecular FormulaC19H24ClNO4
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC Name2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21
InChIInChI=1S/C19H24ClNO4/c20-16-4-2-1-3-13(16)9-18(22)21-10-14-11-25-8-6-19(14,23)15-12-24-7-5-17(15)21/h1-4,14-15,17,23H,5-12H2/t14-,15+,17-,19-/m0/s1
InChIKeyZUFDVXWYNVNBQF-HIRMHNASSA-N
XLogP1.90
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone (CID 118782338) is 2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone is O=C(Cc1ccccc1Cl)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone?
The InChIKey is ZUFDVXWYNVNBQF-HIRMHNASSA-N. The full InChI is InChI=1S/C19H24ClNO4/c20-16-4-2-1-3-13(16)9-18(22)21-10-14-11-25-8-6-19(14,23)15-12-24-7-5-17(15)21/h1-4,14-15,17,23H,5-12H2/t14-,15+,17-,19-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone?
2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone has a molecular weight of 365.86 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone is sourced from PubChem (CID 118782338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).