N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide

C11H14Cl2N2O2 — CID 119385080

IUPACN-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)NCCN
InChIInChI=1S/C11H14Cl2N2O2/c1-7(11(16)15-3-2-14)17-10-5-8(12)4-9(13)6-10/h4-7H,2-3,14H2,1H3,(H,15,16)
InChIKeyQFFPQJCJRKMIGM-UHFFFAOYSA-N
MW277.15 g/mol
LogP1.84
Rot. Bonds5

About N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide

N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide (PubChem CID 119385080) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide
PubChem CID119385080
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC NameN-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)NCCN
InChIInChI=1S/C11H14Cl2N2O2/c1-7(11(16)15-3-2-14)17-10-5-8(12)4-9(13)6-10/h4-7H,2-3,14H2,1H3,(H,15,16)
InChIKeyQFFPQJCJRKMIGM-UHFFFAOYSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide;hydrochloride
CID 119385079
2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433605
4-[2-(3,5-dichlorophenoxy)propanoylamino]butanoic acid
CID 119170699
(2S)-2-(3,5-dichlorophenoxy)-N-methoxypropanamide
CID 95293041
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
3-[2-(3,5-dichlorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 119249555
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-N-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467191
(2R)-N-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467192
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide?
The IUPAC name of N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide (CID 119385080) is N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide is CC(Oc1cc(Cl)cc(Cl)c1)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide?
The InChIKey is QFFPQJCJRKMIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-7(11(16)15-3-2-14)17-10-5-8(12)4-9(13)6-10/h4-7H,2-3,14H2,1H3,(H,15,16).
What are the key properties of N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide?
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide has a molecular weight of 277.15 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide is sourced from PubChem (CID 119385080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).