2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide

C10H11ClFNO2 — CID 122632451

IUPAC2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(CCl)NC(CO)c1ccccc1F
InChIInChI=1S/C10H11ClFNO2/c11-5-10(15)13-9(6-14)7-3-1-2-4-8(7)12/h1-4,9,14H,5-6H2,(H,13,15)
InChIKeyXVVWGMASSFWPAI-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.21
Rot. Bonds4

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

2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 122632451) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide
PubChem CID122632451
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(CCl)NC(CO)c1ccccc1F
InChIInChI=1S/C10H11ClFNO2/c11-5-10(15)13-9(6-14)7-3-1-2-4-8(7)12/h1-4,9,14H,5-6H2,(H,13,15)
InChIKeyXVVWGMASSFWPAI-UHFFFAOYSA-N
XLogP1.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide
CID 164551444
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide
CID 121446854
tert-butyl N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]carbamate
CID 86328737
2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 146083123
2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 110001804
2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944451
2-chloro-N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 167751096
1-chloro-4-(2-fluorophenyl)-4-hydroxybutan-2-one
CID 86094185
3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide
CID 112631456
N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane
CID 168962930
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide (CID 122632451) is 2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide is O=C(CCl)NC(CO)c1ccccc1F.
What is the InChIKey of 2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is XVVWGMASSFWPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c11-5-10(15)13-9(6-14)7-3-1-2-4-8(7)12/h1-4,9,14H,5-6H2,(H,13,15).
What are the key properties of 2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide?
2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 231.65 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 122632451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).