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

C10H11ClFNO2 — CID 147274817

IUPACN-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESCC(=O)N[C@@H](CO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2/c1-6(15)13-10(5-14)7-2-3-9(12)8(11)4-7/h2-4,10,14H,5H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyCRDQNXHONBZAOI-JTQLQIEISA-N
MW231.65 g/mol
LogP1.65
Rot. Bonds3

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

N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 147274817) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
PubChem CID147274817
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC NameN-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESCC(=O)N[C@@H](CO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2/c1-6(15)13-10(5-14)7-2-3-9(12)8(11)4-7/h2-4,10,14H,5H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyCRDQNXHONBZAOI-JTQLQIEISA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane
CID 142863332
(2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol
CID 130642918
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 157294657
N-[1-(3-chloro-4-fluorophenyl)-2-sulfanylpropyl]acetamide
CID 169101301
[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 138733242
4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 99699618
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456
4-(3-chloro-4-fluorophenyl)-3-methylpentan-2-one
CID 123846635
4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide
CID 166343817
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001
(3S)-3-acetamido-3-(3-chloro-4-methylphenyl)propanoic acid
CID 106817778

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide (CID 147274817) is N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide is CC(=O)N[C@@H](CO)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is CRDQNXHONBZAOI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-6(15)13-10(5-14)7-2-3-9(12)8(11)4-7/h2-4,10,14H,5H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide?
N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 231.65 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 147274817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).