(2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride

C11H15ClF2N2O — CID 119285523

IUPAC(2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](C)N)c1c(F)cccc1F.Cl
InChIInChI=1S/C11H14F2N2O.ClH/c1-6(14)11(16)15-7(2)10-8(12)4-3-5-9(10)13;/h3-7H,14H2,1-2H3,(H,15,16);1H/t6-,7?;/m1./s1
InChIKeyILXQHTQOALBSQP-JVEOKNEYSA-N
MW264.70 g/mol
LogP1.91
Rot. Bonds3

About (2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride (PubChem CID 119285523) has the molecular formula C11H15ClF2N2O and a molecular weight of 264.70 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride
PubChem CID119285523
Molecular FormulaC11H15ClF2N2O
Molecular Weight264.70 g/mol
Exact Mass264.08
IUPAC Name(2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](C)N)c1c(F)cccc1F.Cl
InChIInChI=1S/C11H14F2N2O.ClH/c1-6(14)11(16)15-7(2)10-8(12)4-3-5-9(10)13;/h3-7H,14H2,1-2H3,(H,15,16);1H/t6-,7?;/m1./s1
InChIKeyILXQHTQOALBSQP-JVEOKNEYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
(2S)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716488
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide
CID 80542883
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 120501620
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
2-amino-N-(2,6-difluorophenyl)propanamide
CID 43087644
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119803788
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide
CID 119343650
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride (CID 119285523) is (2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride is CC(NC(=O)[C@@H](C)N)c1c(F)cccc1F.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride?
The InChIKey is ILXQHTQOALBSQP-JVEOKNEYSA-N. The full InChI is InChI=1S/C11H14F2N2O.ClH/c1-6(14)11(16)15-7(2)10-8(12)4-3-5-9(10)13;/h3-7H,14H2,1-2H3,(H,15,16);1H/t6-,7?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride has a molecular weight of 264.70 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119285523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).