N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide

C13H15Cl2NO2 — CID 110864058

IUPACN-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide
SMILESO=C(CC1CCCOC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-10-3-4-12(11(15)7-10)16-13(17)6-9-2-1-5-18-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,16,17)
InChIKeyFVOHRDCZAVXKDT-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.75
Rot. Bonds3

About N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide

N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide (PubChem CID 110864058) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide
PubChem CID110864058
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC NameN-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide
SMILESO=C(CC1CCCOC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-10-3-4-12(11(15)7-10)16-13(17)6-9-2-1-5-18-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,16,17)
InChIKeyFVOHRDCZAVXKDT-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide
CID 110863811
N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide
CID 99839578
N-(2,5-dichlorophenyl)-2-(oxetan-3-yl)acetamide
CID 110476456
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
CID 54786307
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751603
N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943767
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 113001284
N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
CID 110862725

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide (CID 110864058) is N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide is O=C(CC1CCCOC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide?
The InChIKey is FVOHRDCZAVXKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-10-3-4-12(11(15)7-10)16-13(17)6-9-2-1-5-18-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,16,17).
What are the key properties of N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide?
N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide has a molecular weight of 288.17 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 110864058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).