N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide

C12H16FNO2 — CID 81349027

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
SMILESC[C@@H](NC(=O)CCCO)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-9(14-12(16)3-2-8-15)10-4-6-11(13)7-5-10/h4-7,9,15H,2-3,8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyZWJNCXJQESCCQM-SECBINFHSA-N
MW225.26 g/mol
LogP1.78
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide (PubChem CID 81349027) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
PubChem CID81349027
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
SMILESC[C@@H](NC(=O)CCCO)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-9(14-12(16)3-2-8-15)10-4-6-11(13)7-5-10/h4-7,9,15H,2-3,8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyZWJNCXJQESCCQM-SECBINFHSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81366330
5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317
5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
CID 81355860
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide
CID 79198933
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide (CID 81349027) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide is C[C@@H](NC(=O)CCCO)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide?
The InChIKey is ZWJNCXJQESCCQM-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9(14-12(16)3-2-8-15)10-4-6-11(13)7-5-10/h4-7,9,15H,2-3,8H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide has a molecular weight of 225.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide is sourced from PubChem (CID 81349027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).