2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

C11H15FN2O — CID 81349591

IUPAC2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESCC(N)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-7(13)11(15)14-8(2)9-3-5-10(12)6-4-9/h3-8H,13H2,1-2H3,(H,14,15)/t7?,8-/m1/s1
InChIKeyXBQPGKREUKFCAL-BRFYHDHCSA-N
MW210.25 g/mol
LogP1.35
Rot. Bonds3

About 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 81349591) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID81349591
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESCC(N)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-7(13)11(15)14-8(2)9-3-5-10(12)6-4-9/h3-8H,13H2,1-2H3,(H,14,15)/t7?,8-/m1/s1
InChIKeyXBQPGKREUKFCAL-BRFYHDHCSA-N
XLogP1.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317321
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 78971913
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide
CID 65292258
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (CID 81349591) is 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is CC(N)C(=O)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is XBQPGKREUKFCAL-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-7(13)11(15)14-8(2)9-3-5-10(12)6-4-9/h3-8H,13H2,1-2H3,(H,14,15)/t7?,8-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 210.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 81349591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).