2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide

C13H15Cl2NO3 — CID 166432159

IUPAC2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
SMILESO=C(CCl)N(Cc1ccccc1Cl)[C@H]1COC[C@@H]1O
InChIInChI=1S/C13H15Cl2NO3/c14-5-13(18)16(11-7-19-8-12(11)17)6-9-3-1-2-4-10(9)15/h1-4,11-12,17H,5-8H2/t11-,12-/m0/s1
InChIKeyUSLNLZDALKRACY-RYUDHWBXSA-N
MW304.17 g/mol
LogP1.67
Rot. Bonds4

About 2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide

2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide (PubChem CID 166432159) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
PubChem CID166432159
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
SMILESO=C(CCl)N(Cc1ccccc1Cl)[C@H]1COC[C@@H]1O
InChIInChI=1S/C13H15Cl2NO3/c14-5-13(18)16(11-7-19-8-12(11)17)6-9-3-1-2-4-10(9)15/h1-4,11-12,17H,5-8H2/t11-,12-/m0/s1
InChIKeyUSLNLZDALKRACY-RYUDHWBXSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide (CID 166432159) is 2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide is O=C(CCl)N(Cc1ccccc1Cl)[C@H]1COC[C@@H]1O.
What is the InChIKey of 2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide?
The InChIKey is USLNLZDALKRACY-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c14-5-13(18)16(11-7-19-8-12(11)17)6-9-3-1-2-4-10(9)15/h1-4,11-12,17H,5-8H2/t11-,12-/m0/s1.
What are the key properties of 2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide?
2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide has a molecular weight of 304.17 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chlorophenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide is sourced from PubChem (CID 166432159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).