2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride

C11H16Cl2N2O2 — CID 119295698

IUPAC2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCCOc1cccc(Cl)c1.Cl
InChIInChI=1S/C11H15ClN2O2.ClH/c1-8(13)11(15)14-5-6-16-10-4-2-3-9(12)7-10;/h2-4,7-8H,5-6,13H2,1H3,(H,14,15);1H
InChIKeyVGPDGPHQOSYXIN-UHFFFAOYSA-N
MW279.17 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride

2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride (PubChem CID 119295698) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
PubChem CID119295698
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCCOc1cccc(Cl)c1.Cl
InChIInChI=1S/C11H15ClN2O2.ClH/c1-8(13)11(15)14-5-6-16-10-4-2-3-9(12)7-10;/h2-4,7-8H,5-6,13H2,1H3,(H,14,15);1H
InChIKeyVGPDGPHQOSYXIN-UHFFFAOYSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride
CID 119735014
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
(2S)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296638
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 30794885
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119295699

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride (CID 119295698) is 2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride is CC(N)C(=O)NCCOc1cccc(Cl)c1.Cl.
What is the InChIKey of 2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride?
The InChIKey is VGPDGPHQOSYXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2.ClH/c1-8(13)11(15)14-5-6-16-10-4-2-3-9(12)7-10;/h2-4,7-8H,5-6,13H2,1H3,(H,14,15);1H.
What are the key properties of 2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride?
2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride has a molecular weight of 279.17 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119295698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).