N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide

C12H16Cl2N2O2 — CID 112706093

IUPACN-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
SMILESCC(CO)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-8(7-17)16(2)6-11(18)15-12-9(13)4-3-5-10(12)14/h3-5,8,17H,6-7H2,1-2H3,(H,15,18)
InChIKeyYBCXLBCUKXTDKG-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.24
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide

N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide (PubChem CID 112706093) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
PubChem CID112706093
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC NameN-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
SMILESCC(CO)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-8(7-17)16(2)6-11(18)15-12-9(13)4-3-5-10(12)14/h3-5,8,17H,6-7H2,1-2H3,(H,15,18)
InChIKeyYBCXLBCUKXTDKG-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide
CID 104554153
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 4824924
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706053
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 115772236
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559536
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559545
N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789
N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 55351270
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
2-[acetyl(1-phenylethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113162118

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide (CID 112706093) is N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide is CC(CO)N(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
The InChIKey is YBCXLBCUKXTDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-8(7-17)16(2)6-11(18)15-12-9(13)4-3-5-10(12)14/h3-5,8,17H,6-7H2,1-2H3,(H,15,18).
What are the key properties of N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide has a molecular weight of 291.18 g/mol, XLogP of 2.24, 5 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-[1-hydroxypropan-2-yl(methyl)amino]acetamide is sourced from PubChem (CID 112706093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).