N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C14H21ClF2N2O3 — CID 119742775

IUPACN-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)COc1ccc(F)cc1F.Cl
InChIInChI=1S/C14H20F2N2O3.ClH/c1-10(18-14(19)8-17-5-6-20-2)9-21-13-4-3-11(15)7-12(13)16;/h3-4,7,10,17H,5-6,8-9H2,1-2H3,(H,18,19);1H
InChIKeyWBFHNEOKCOJJEY-UHFFFAOYSA-N
MW338.78 g/mol
LogP1.51
Rot. Bonds9

About N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119742775) has the molecular formula C14H21ClF2N2O3 and a molecular weight of 338.78 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119742775
Molecular FormulaC14H21ClF2N2O3
Molecular Weight338.78 g/mol
Exact Mass338.12
IUPAC NameN-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)COc1ccc(F)cc1F.Cl
InChIInChI=1S/C14H20F2N2O3.ClH/c1-10(18-14(19)8-17-5-6-20-2)9-21-13-4-3-11(15)7-12(13)16;/h3-4,7,10,17H,5-6,8-9H2,1-2H3,(H,18,19);1H
InChIKeyWBFHNEOKCOJJEY-UHFFFAOYSA-N
XLogP1.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.78
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197746
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815
N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742218
N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide
CID 119816063
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119299969
N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 94623859
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119299977
(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624769
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077351

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119742775) is N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NC(C)COc1ccc(F)cc1F.Cl.
What is the InChIKey of N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is WBFHNEOKCOJJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3.ClH/c1-10(18-14(19)8-17-5-6-20-2)9-21-13-4-3-11(15)7-12(13)16;/h3-4,7,10,17H,5-6,8-9H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 338.78 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119742775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).