N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide

C11H14Cl2N2O2 — CID 43405278

IUPACN-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide
SMILESO=C(CNCCCO)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c12-8-3-1-4-9(13)11(8)15-10(17)7-14-5-2-6-16/h1,3-4,14,16H,2,5-7H2,(H,15,17)
InChIKeyLEMVKDDSWNSSSO-UHFFFAOYSA-N
MW277.15 g/mol
LogP1.90
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide

N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide (PubChem CID 43405278) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide
PubChem CID43405278
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC NameN-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide
SMILESO=C(CNCCCO)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c12-8-3-1-4-9(13)11(8)15-10(17)7-14-5-2-6-16/h1,3-4,14,16H,2,5-7H2,(H,15,17)
InChIKeyLEMVKDDSWNSSSO-UHFFFAOYSA-N
XLogP1.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-2-[(5-hydroxy-4-methylpentyl)amino]acetamide
CID 106160091
3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide
CID 43627349
2-(2-cyclopentylethylamino)-N-(2,6-dichlorophenyl)acetamide
CID 60919366
N-(2,6-dichlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide
CID 62642488
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
N-(2,6-dichlorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000245
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(3-chlorophenyl)-2-(5-hydroxypentylamino)acetamide
CID 103820250
N-(2,6-dichlorophenyl)-2-(4-methylanilino)acetamide
CID 39445182
N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
CID 111112534
N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide (CID 43405278) is N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide is O=C(CNCCCO)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide?
The InChIKey is LEMVKDDSWNSSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c12-8-3-1-4-9(13)11(8)15-10(17)7-14-5-2-6-16/h1,3-4,14,16H,2,5-7H2,(H,15,17).
What are the key properties of N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide?
N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide has a molecular weight of 277.15 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide is sourced from PubChem (CID 43405278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).