2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride

C11H15ClF2N2O3 — CID 120986908

IUPAC2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1cc(F)c(OC)c(F)c1.Cl
InChIInChI=1S/C11H14F2N2O3.ClH/c1-17-5-9(14)11(16)15-6-3-7(12)10(18-2)8(13)4-6;/h3-4,9H,5,14H2,1-2H3,(H,15,16);1H
InChIKeyLCRXIWTYWRAHRU-UHFFFAOYSA-N
MW296.70 g/mol
LogP1.31
Rot. Bonds5

About 2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride

2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride (PubChem CID 120986908) has the molecular formula C11H15ClF2N2O3 and a molecular weight of 296.70 g/mol. Its IUPAC name is 2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride
PubChem CID120986908
Molecular FormulaC11H15ClF2N2O3
Molecular Weight296.70 g/mol
Exact Mass296.07
IUPAC Name2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1cc(F)c(OC)c(F)c1.Cl
InChIInChI=1S/C11H14F2N2O3.ClH/c1-17-5-9(14)11(16)15-6-3-7(12)10(18-2)8(13)4-6;/h3-4,9H,5,14H2,1-2H3,(H,15,16);1H
InChIKeyLCRXIWTYWRAHRU-UHFFFAOYSA-N
XLogP1.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride
CID 119290625
2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide
CID 119290626
(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119290623
2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 81101709
2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide
CID 81088111
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methoxypropanamide
CID 107625774
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 86837784
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
2-amino-N-(2-bromo-4,6-difluorophenyl)-3-methoxypropanamide
CID 81081448

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride (CID 120986908) is 2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)Nc1cc(F)c(OC)c(F)c1.Cl.
What is the InChIKey of 2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride?
The InChIKey is LCRXIWTYWRAHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3.ClH/c1-17-5-9(14)11(16)15-6-3-7(12)10(18-2)8(13)4-6;/h3-4,9H,5,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride?
2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride has a molecular weight of 296.70 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120986908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).