N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide

C11H15FN2O — CID 71050354

IUPACN-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C[C@H](N)CF)cc1
InChIInChI=1S/C11H15FN2O/c1-8(15)14-11-4-2-9(3-5-11)6-10(13)7-12/h2-5,10H,6-7,13H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyZMVBKJKXMBAUIE-JTQLQIEISA-N
MW210.25 g/mol
LogP1.48
Rot. Bonds4

About N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide

N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide (PubChem CID 71050354) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide
PubChem CID71050354
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C[C@H](N)CF)cc1
InChIInChI=1S/C11H15FN2O/c1-8(15)14-11-4-2-9(3-5-11)6-10(13)7-12/h2-5,10H,6-7,13H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyZMVBKJKXMBAUIE-JTQLQIEISA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-acetamidophenyl)-3-aminobutanoic acid
CID 82350791
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
CID 130059747
propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride
CID 170693109
N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide
CID 82259967
[4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium
CID 157140877
4-(4-acetamidophenyl)-3-bromobutanoic acid
CID 82351983
N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
CID 82259731
N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide
CID 82255063
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
(2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid
CID 66819935
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide (CID 71050354) is N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide is CC(=O)Nc1ccc(C[C@H](N)CF)cc1.
What is the InChIKey of N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide?
The InChIKey is ZMVBKJKXMBAUIE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8(15)14-11-4-2-9(3-5-11)6-10(13)7-12/h2-5,10H,6-7,13H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide?
N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide has a molecular weight of 210.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide is sourced from PubChem (CID 71050354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).