N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide

C12H16FNO2 — CID 81366330

IUPACN-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
SMILESC[C@@H](NC(=O)CCCO)c1cccc(F)c1
InChIInChI=1S/C12H16FNO2/c1-9(14-12(16)6-3-7-15)10-4-2-5-11(13)8-10/h2,4-5,8-9,15H,3,6-7H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyIUJKTCPPHNTSFQ-SECBINFHSA-N
MW225.26 g/mol
LogP1.78
Rot. Bonds5

About N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide

N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide (PubChem CID 81366330) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
PubChem CID81366330
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
SMILESC[C@@H](NC(=O)CCCO)c1cccc(F)c1
InChIInChI=1S/C12H16FNO2/c1-9(14-12(16)6-3-7-15)10-4-2-5-11(13)8-10/h2,4-5,8-9,15H,3,6-7H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyIUJKTCPPHNTSFQ-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

N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
CID 79199383
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
CID 81366520
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 81366180
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 81365829
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81365152
3-(ethylamino)-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 55121061
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940549
3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366317

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide?
The IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide (CID 81366330) is N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide?
The canonical SMILES for N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide is C[C@@H](NC(=O)CCCO)c1cccc(F)c1.
What is the InChIKey of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide?
The InChIKey is IUJKTCPPHNTSFQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9(14-12(16)6-3-7-15)10-4-2-5-11(13)8-10/h2,4-5,8-9,15H,3,6-7H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide?
N-[(1R)-1-(3-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-(3-fluorophenyl)ethyl]-4-hydroxybutanamide is sourced from PubChem (CID 81366330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).