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

C10H13ClF2N2O2 — CID 119290623

IUPAC(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1c(F)cc(NC(=O)[C@@H](C)N)cc1F.Cl
InChIInChI=1S/C10H12F2N2O2.ClH/c1-5(13)10(15)14-6-3-7(11)9(16-2)8(12)4-6;/h3-5H,13H2,1-2H3,(H,14,15);1H/t5-;/m1./s1
InChIKeyABTDUZIIRYBYEH-NUBCRITNSA-N
MW266.68 g/mol
LogP1.68
Rot. Bonds3

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

(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119290623) has the molecular formula C10H13ClF2N2O2 and a molecular weight of 266.68 g/mol. Its IUPAC name is (2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
PubChem CID119290623
Molecular FormulaC10H13ClF2N2O2
Molecular Weight266.68 g/mol
Exact Mass266.06
IUPAC Name(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1c(F)cc(NC(=O)[C@@H](C)N)cc1F.Cl
InChIInChI=1S/C10H12F2N2O2.ClH/c1-5(13)10(15)14-6-3-7(11)9(16-2)8(12)4-6;/h3-5H,13H2,1-2H3,(H,14,15);1H/t5-;/m1./s1
InChIKeyABTDUZIIRYBYEH-NUBCRITNSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120986908
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-fluoro-5-methylphenyl)propanamide
CID 79050426
(2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide
CID 79049472
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
CID 119290632
2-amino-N-(2,6-dimethyl-4-pyridinyl)propanamide;hydrochloride
CID 130978046
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea
CID 99787005
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
CID 119290157

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride (CID 119290623) is (2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride is COc1c(F)cc(NC(=O)[C@@H](C)N)cc1F.Cl.
What is the InChIKey of (2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is ABTDUZIIRYBYEH-NUBCRITNSA-N. The full InChI is InChI=1S/C10H12F2N2O2.ClH/c1-5(13)10(15)14-6-3-7(11)9(16-2)8(12)4-6;/h3-5H,13H2,1-2H3,(H,14,15);1H/t5-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride?
(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 266.68 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119290623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).