N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide

C13H16Cl2N2O2 — CID 43627352

IUPACN-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide
SMILESO=C(CNC1CCOCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-10-2-1-3-11(15)13(10)17-12(18)8-16-9-4-6-19-7-5-9/h1-3,9,16H,4-8H2,(H,17,18)
InChIKeyBYIYERGGPGKIIY-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.70
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide

N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide (PubChem CID 43627352) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide
PubChem CID43627352
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide
SMILESO=C(CNC1CCOCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-10-2-1-3-11(15)13(10)17-12(18)8-16-9-4-6-19-7-5-9/h1-3,9,16H,4-8H2,(H,17,18)
InChIKeyBYIYERGGPGKIIY-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-(2,4,6-trichlorophenyl)acetamide
CID 60647047
3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid
CID 82830861
N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide
CID 135232757
N-(2,6-dichlorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide
CID 106256841
N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide
CID 130299984
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707
2-(cyclopentylamino)-N-(2,6-diethylphenyl)acetamide
CID 60647214
N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 113001519
2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 62696180
2-(2-cyclopentylethylamino)-N-(2,6-dichlorophenyl)acetamide
CID 60919366

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide (CID 43627352) is N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide is O=C(CNC1CCOCC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide?
The InChIKey is BYIYERGGPGKIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-10-2-1-3-11(15)13(10)17-12(18)8-16-9-4-6-19-7-5-9/h1-3,9,16H,4-8H2,(H,17,18).
What are the key properties of N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide?
N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide has a molecular weight of 303.19 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide is sourced from PubChem (CID 43627352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).