2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide

C10H10BrClFNO — CID 156527982

IUPAC2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CBr)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H10BrClFNO/c1-6(14-10(15)5-11)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeySSNRFVOEBKWSDX-ZCFIWIBFSA-N
MW294.55 g/mol
LogP3.05
Rot. Bonds3

About 2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide

2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide (PubChem CID 156527982) has the molecular formula C10H10BrClFNO and a molecular weight of 294.55 g/mol. Its IUPAC name is 2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide
PubChem CID156527982
Molecular FormulaC10H10BrClFNO
Molecular Weight294.55 g/mol
Exact Mass292.96
IUPAC Name2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CBr)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H10BrClFNO/c1-6(14-10(15)5-11)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeySSNRFVOEBKWSDX-ZCFIWIBFSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.55
LogP ≤ 53.05
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-chloro-3-fluorophenyl)ethyl]propanamide
CID 149125323
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 83069532
1-[1-(4-chloro-3-fluorophenyl)ethyl]-3-[1-(4-chlorophenyl)-2-(dimethylamino)ethyl]urea
CID 167941647
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
methyl (2S)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propanoate
CID 83069851
N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide
CID 156528269
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79473884

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide (CID 156527982) is 2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide is C[C@@H](NC(=O)CBr)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide?
The InChIKey is SSNRFVOEBKWSDX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10BrClFNO/c1-6(14-10(15)5-11)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15)/t6-/m1/s1.
What are the key properties of 2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide?
2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide has a molecular weight of 294.55 g/mol, XLogP of 3.05, 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-(4-chloro-3-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 156527982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).