N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide

C13H19ClN2O2 — CID 168638082

IUPACN-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide
SMILESCC(=O)Nc1c(C)ccc(NCC(O)CCl)c1C
InChIInChI=1S/C13H19ClN2O2/c1-8-4-5-12(15-7-11(18)6-14)9(2)13(8)16-10(3)17/h4-5,11,15,18H,6-7H2,1-3H3,(H,16,17)
InChIKeyXSLWMVRROOQGBS-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.27
Rot. Bonds5

About N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide

N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide (PubChem CID 168638082) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide
PubChem CID168638082
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide
SMILESCC(=O)Nc1c(C)ccc(NCC(O)CCl)c1C
InChIInChI=1S/C13H19ClN2O2/c1-8-4-5-12(15-7-11(18)6-14)9(2)13(8)16-10(3)17/h4-5,11,15,18H,6-7H2,1-3H3,(H,16,17)
InChIKeyXSLWMVRROOQGBS-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide
CID 168636852
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide
CID 168638760
2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol
CID 168640691
methyl 4-hydroxy-5-(2,3,4-trimethylanilino)pentanoate
CID 115123520
N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide
CID 168593503
1-amino-3-(2,3,4-trimethylanilino)propan-2-ol
CID 115121186
ethyl 3-[(3-chloro-2-hydroxypropyl)amino]-2-methylbenzoate
CID 168636432
1-chloro-3-(2-chloro-4-fluoro-3-methylanilino)propan-2-ol
CID 168640198
1-(4-bromo-2-chloro-3-methylanilino)-3-chloropropan-2-ol
CID 168638658
3-[(3-chloro-2-hydroxypropyl)amino]-N-(2-methoxyethyl)-2-methylbenzamide
CID 168637570
4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 168637114
3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide
CID 168637118

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide?
The IUPAC name of N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide (CID 168638082) is N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide?
The canonical SMILES for N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide is CC(=O)Nc1c(C)ccc(NCC(O)CCl)c1C.
What is the InChIKey of N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide?
The InChIKey is XSLWMVRROOQGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8-4-5-12(15-7-11(18)6-14)9(2)13(8)16-10(3)17/h4-5,11,15,18H,6-7H2,1-3H3,(H,16,17).
What are the key properties of N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide?
N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide has a molecular weight of 270.76 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 168638082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).