N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide

C13H18Cl2N2O2 — CID 104554153

IUPACN-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide
SMILESCC(CO)N(C)CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-9(8-18)17(2)7-6-12(19)16-13-10(14)4-3-5-11(13)15/h3-5,9,18H,6-8H2,1-2H3,(H,16,19)
InChIKeyOTTNTGXBMRLRDO-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.63
Rot. Bonds6

About N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide

N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide (PubChem CID 104554153) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide
PubChem CID104554153
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC NameN-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide
SMILESCC(CO)N(C)CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-9(8-18)17(2)7-6-12(19)16-13-10(14)4-3-5-11(13)15/h3-5,9,18H,6-8H2,1-2H3,(H,16,19)
InChIKeyOTTNTGXBMRLRDO-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 24588780
3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113115297
N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24589283
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
CID 60706675
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
(2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid
CID 83194749
3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 24588994
3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 66185509
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide (CID 104554153) is N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide is CC(CO)N(C)CCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide?
The InChIKey is OTTNTGXBMRLRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-9(8-18)17(2)7-6-12(19)16-13-10(14)4-3-5-11(13)15/h3-5,9,18H,6-8H2,1-2H3,(H,16,19).
What are the key properties of N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide?
N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide has a molecular weight of 305.20 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide is sourced from PubChem (CID 104554153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).