N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide

C13H16Cl2N2O2 — CID 119614628

IUPACN-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide
SMILESNCC(NC(=O)COc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C13H16Cl2N2O2/c14-9-3-10(15)5-11(4-9)19-7-13(18)17-12(6-16)8-1-2-8/h3-5,8,12H,1-2,6-7,16H2,(H,17,18)
InChIKeyTUTRXCLOXXAHKO-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.23
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide

N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide (PubChem CID 119614628) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide
PubChem CID119614628
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide
SMILESNCC(NC(=O)COc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C13H16Cl2N2O2/c14-9-3-10(15)5-11(4-9)19-7-13(18)17-12(6-16)8-1-2-8/h3-5,8,12H,1-2,6-7,16H2,(H,17,18)
InChIKeyTUTRXCLOXXAHKO-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(3-methylphenoxy)acetamide
CID 119616033
N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 120506340
N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119616000
N-(2-amino-1-cyclohexylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 119590687
2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119591056
N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
CID 119613592
N-(2-amino-1-cyclopropylethyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119616028
N-(2-amino-1-cyclopropylethyl)-2-(2-phenylphenoxy)acetamide
CID 119613353
N-(2-amino-1-cyclopropylethyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119612699
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470
N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride
CID 119613712

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide (CID 119614628) is N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide is NCC(NC(=O)COc1cc(Cl)cc(Cl)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide?
The InChIKey is TUTRXCLOXXAHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-9-3-10(15)5-11(4-9)19-7-13(18)17-12(6-16)8-1-2-8/h3-5,8,12H,1-2,6-7,16H2,(H,17,18).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide?
N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide has a molecular weight of 303.19 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide is sourced from PubChem (CID 119614628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).