2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide

C10H11ClFNO — CID 166408408

IUPAC2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CCl)c1ccccc1F
InChIInChI=1S/C10H11ClFNO/c1-7(13-10(14)6-11)8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyZIPXEODKKPHBFI-ZETCQYMHSA-N
MW215.66 g/mol
LogP2.24
Rot. Bonds3

About 2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide

2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide (PubChem CID 166408408) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
PubChem CID166408408
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CCl)c1ccccc1F
InChIInChI=1S/C10H11ClFNO/c1-7(13-10(14)6-11)8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyZIPXEODKKPHBFI-ZETCQYMHSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.24
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-chloro-N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 167751096
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81380842
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923
4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid
CID 81380068
N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 81380845
2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 122632451
2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide
CID 167829999
2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 43346434
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940561
3-(cyclopropylamino)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 54862156
2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 43701714
2-cyclopentyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51968745

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide (CID 166408408) is 2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide is C[C@H](NC(=O)CCl)c1ccccc1F.
What is the InChIKey of 2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is ZIPXEODKKPHBFI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-7(13-10(14)6-11)8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide?
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 215.66 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 166408408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).