2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide

C15H19Cl2NO3 — CID 91774837

IUPAC2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO3/c1-2-21-14-9-20-6-5-13(14)18-15(19)8-10-3-4-11(16)12(17)7-10/h3-4,7,13-14H,2,5-6,8-9H2,1H3,(H,18,19)/t13-,14-/m1/s1
InChIKeyCSQAAWIWPYCNKP-ZIAGYGMSSA-N
MW332.23 g/mol
LogP2.85
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide

2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide (PubChem CID 91774837) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
PubChem CID91774837
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO3/c1-2-21-14-9-20-6-5-13(14)18-15(19)8-10-3-4-11(16)12(17)7-10/h3-4,7,13-14H,2,5-6,8-9H2,1H3,(H,18,19)/t13-,14-/m1/s1
InChIKeyCSQAAWIWPYCNKP-ZIAGYGMSSA-N
XLogP2.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide
CID 91760979
N-(3-ethoxyoxan-4-yl)acetamide
CID 131089007
1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide
CID 91776750
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 155917808
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91776740
2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide
CID 91784481
2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide
CID 90650186
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 91787158
N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 91794402
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide
CID 91782854
2-(3,4-dichlorophenyl)-N-(4-methoxycyclohexyl)acetamide
CID 163319563

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide (CID 91774837) is 2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide is CCO[C@@H]1COCC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide?
The InChIKey is CSQAAWIWPYCNKP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-2-21-14-9-20-6-5-13(14)18-15(19)8-10-3-4-11(16)12(17)7-10/h3-4,7,13-14H,2,5-6,8-9H2,1H3,(H,18,19)/t13-,14-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide?
2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide has a molecular weight of 332.23 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide is sourced from PubChem (CID 91774837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).