(2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide

C12H16F2N2O2 — CID 120874042

IUPAC(2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide
SMILESCOCC(NC(=O)[C@@H](C)N)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-7(15)12(17)16-11(6-18-2)8-3-4-9(13)10(14)5-8/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)/t7-,11?/m1/s1
InChIKeyGSRUHICOJCIFHU-DKSCNQEISA-N
MW258.27 g/mol
LogP1.12
Rot. Bonds5

About (2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide

(2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide (PubChem CID 120874042) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide
PubChem CID120874042
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide
SMILESCOCC(NC(=O)[C@@H](C)N)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-7(15)12(17)16-11(6-18-2)8-3-4-9(13)10(14)5-8/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)/t7-,11?/m1/s1
InChIKeyGSRUHICOJCIFHU-DKSCNQEISA-N
XLogP1.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-difluorophenyl)-2-methoxyethyl]hydrazine
CID 105197185
3-[[1-(3,4-difluorophenyl)-2-methoxyethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122008969
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide
CID 81082530
N-[(1S)-1-(3,4-difluorophenyl)-2-methoxyethyl]-3,5-difluoroaniline
CID 97306802
1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone
CID 75471820
methyl (3R)-3-amino-3-(3,4-difluorophenyl)propanoate
CID 29059566
methyl (3S)-3-amino-3-(3,4-difluorophenyl)propanoate;hydrochloride
CID 171243036
methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate
CID 60787024
methyl (2R,3S)-3-amino-3-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 57167178
3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236492
methyl 2-(cyclopropylmethylamino)-2-(3,4-difluorophenyl)acetate
CID 54894261
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide (CID 120874042) is (2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide is COCC(NC(=O)[C@@H](C)N)c1ccc(F)c(F)c1.
What is the InChIKey of (2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide?
The InChIKey is GSRUHICOJCIFHU-DKSCNQEISA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-7(15)12(17)16-11(6-18-2)8-3-4-9(13)10(14)5-8/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)/t7-,11?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide?
(2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide has a molecular weight of 258.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide is sourced from PubChem (CID 120874042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).