(2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide

C10H11BrFNO — CID 102438860

IUPAC(2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)[C@@H](F)Br)c1ccccc1
InChIInChI=1S/C10H11BrFNO/c1-7(13-10(14)9(11)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,14)/t7-,9+/m0/s1
InChIKeyOWMJHDDMLQIPAS-IONNQARKSA-N
MW260.11 g/mol
LogP2.55
Rot. Bonds3

About (2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide

(2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 102438860) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is (2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
PubChem CID102438860
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name(2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)[C@@H](F)Br)c1ccccc1
InChIInChI=1S/C10H11BrFNO/c1-7(13-10(14)9(11)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,14)/t7-,9+/m0/s1
InChIKeyOWMJHDDMLQIPAS-IONNQARKSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.55
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

2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide
CID 2788217
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
CID 101483881
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide
CID 129088961
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of (2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide (CID 102438860) is (2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for (2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for (2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)[C@@H](F)Br)c1ccccc1.
What is the InChIKey of (2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is OWMJHDDMLQIPAS-IONNQARKSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-7(13-10(14)9(11)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,14)/t7-,9+/m0/s1.
What are the key properties of (2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide?
(2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 260.11 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 102438860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).