2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide

C10H11BrFNO — CID 81365784

IUPAC2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CBr)c1cccc(F)c1
InChIInChI=1S/C10H11BrFNO/c1-7(13-10(14)6-11)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyPLJPJTCLMCPFGK-SSDOTTSWSA-N
MW260.11 g/mol
LogP2.40
Rot. Bonds3

About 2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide

2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide (PubChem CID 81365784) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
PubChem CID81365784
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CBr)c1cccc(F)c1
InChIInChI=1S/C10H11BrFNO/c1-7(13-10(14)6-11)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyPLJPJTCLMCPFGK-SSDOTTSWSA-N
XLogP2.40
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 ≤ 52.40
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

N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81366330
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
CID 79199383
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81365152
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940549
3-(ethylamino)-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 55121061
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 81366180
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 81369898
3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366317
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 81365829

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide (CID 81365784) is 2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide is C[C@@H](NC(=O)CBr)c1cccc(F)c1.
What is the InChIKey of 2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide?
The InChIKey is PLJPJTCLMCPFGK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-7(13-10(14)6-11)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of 2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide?
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide has a molecular weight of 260.11 g/mol, XLogP of 2.40, 3 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-(3-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 81365784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).