2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide

C12H15BrFNO — CID 81348111

IUPAC2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
SMILESCCC(Br)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C12H15BrFNO/c1-3-11(13)12(16)15-8(2)9-4-6-10(14)7-5-9/h4-8,11H,3H2,1-2H3,(H,15,16)/t8-,11?/m1/s1
InChIKeyVLFMVOHYKLIJBY-RZZZFEHKSA-N
MW288.16 g/mol
LogP3.18
Rot. Bonds4

About 2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide

2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide (PubChem CID 81348111) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
PubChem CID81348111
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
SMILESCCC(Br)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C12H15BrFNO/c1-3-11(13)12(16)15-8(2)9-4-6-10(14)7-5-9/h4-8,11H,3H2,1-2H3,(H,15,16)/t8-,11?/m1/s1
InChIKeyVLFMVOHYKLIJBY-RZZZFEHKSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81347208
2-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 62855391
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 62994798
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 55126066
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromobutanamide
CID 62855008
2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 117062720
2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249769
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 93486268

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide?
The IUPAC name of 2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide (CID 81348111) is 2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide is CCC(Br)C(=O)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of 2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide?
The InChIKey is VLFMVOHYKLIJBY-RZZZFEHKSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-3-11(13)12(16)15-8(2)9-4-6-10(14)7-5-9/h4-8,11H,3H2,1-2H3,(H,15,16)/t8-,11?/m1/s1.
What are the key properties of 2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide?
2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide has a molecular weight of 288.16 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 81348111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).