N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide

C12H17Cl2N3O2 — CID 62334919

IUPACN-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
SMILESCC(O)CN(C)CC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H17Cl2N3O2/c1-7(18)5-17(2)6-11(19)16-12-9(13)3-8(15)4-10(12)14/h3-4,7,18H,5-6,15H2,1-2H3,(H,16,19)
InChIKeyAIWIFZBTWGFKGJ-UHFFFAOYSA-N
MW306.19 g/mol
LogP1.83
Rot. Bonds5

About N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide

N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide (PubChem CID 62334919) has the molecular formula C12H17Cl2N3O2 and a molecular weight of 306.19 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
PubChem CID62334919
Molecular FormulaC12H17Cl2N3O2
Molecular Weight306.19 g/mol
Exact Mass305.07
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
SMILESCC(O)CN(C)CC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H17Cl2N3O2/c1-7(18)5-17(2)6-11(19)16-12-9(13)3-8(15)4-10(12)14/h3-4,7,18H,5-6,15H2,1-2H3,(H,16,19)
InChIKeyAIWIFZBTWGFKGJ-UHFFFAOYSA-N
XLogP1.83
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107198287
N-(4-amino-2,6-dichlorophenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861622
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295373
methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60704441
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide
CID 61286801
N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
CID 29271711
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43376037
N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide
CID 54992924
2-[2-hydroxyethyl(methyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 60683836
N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
CID 62861624

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide (CID 62334919) is N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide is CC(O)CN(C)CC(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide?
The InChIKey is AIWIFZBTWGFKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O2/c1-7(18)5-17(2)6-11(19)16-12-9(13)3-8(15)4-10(12)14/h3-4,7,18H,5-6,15H2,1-2H3,(H,16,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide?
N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide has a molecular weight of 306.19 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide is sourced from PubChem (CID 62334919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).