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

C12H17FN2O — CID 78919872

IUPAC(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)[C@@H](C)N
InChIInChI=1S/C12H17FN2O/c1-8(15-12(16)9(2)14)7-10-3-5-11(13)6-4-10/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyBKWLJMKUEKPTBU-YGPZHTELSA-N
MW224.28 g/mol
LogP1.22
Rot. Bonds4

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

(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide (PubChem CID 78919872) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
PubChem CID78919872
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)[C@@H](C)N
InChIInChI=1S/C12H17FN2O/c1-8(15-12(16)9(2)14)7-10-3-5-11(13)6-4-10/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyBKWLJMKUEKPTBU-YGPZHTELSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 76981965
3-amino-4-[1-(4-fluorophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64894788
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
(2R)-2-amino-N-[1-(4-propan-2-ylphenyl)propan-2-yl]propanamide;hydrochloride
CID 120873867
(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
CID 119295652
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 62994798
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide
CID 63008409
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
methyl (2S,4S)-5-[1-(4-fluorophenyl)propan-2-ylamino]-2-methyl-4-(methylamino)-5-oxopentanoate
CID 126627391
methyl N-[1-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47077305

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide (CID 78919872) is (2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide is CC(Cc1ccc(F)cc1)NC(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide?
The InChIKey is BKWLJMKUEKPTBU-YGPZHTELSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(15-12(16)9(2)14)7-10-3-5-11(13)6-4-10/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide?
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide has a molecular weight of 224.28 g/mol, XLogP of 1.22, 4 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-(4-fluorophenyl)propan-2-yl]propanamide is sourced from PubChem (CID 78919872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).