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

C12H17ClFNO2 — CID 142863332

IUPACN-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane
SMILESCC.CC(=O)NC(CO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2.C2H6/c1-6(15)13-10(5-14)7-2-3-9(12)8(11)4-7;1-2/h2-4,10,14H,5H2,1H3,(H,13,15);1-2H3
InChIKeyCDCWDAODTGBFGY-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.67
Rot. Bonds3

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

N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane (PubChem CID 142863332) has the molecular formula C12H17ClFNO2 and a molecular weight of 261.72 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane
PubChem CID142863332
Molecular FormulaC12H17ClFNO2
Molecular Weight261.72 g/mol
Exact Mass261.09
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane
SMILESCC.CC(=O)NC(CO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2.C2H6/c1-6(15)13-10(5-14)7-2-3-9(12)8(11)4-7;1-2/h2-4,10,14H,5H2,1H3,(H,13,15);1-2H3
InChIKeyCDCWDAODTGBFGY-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 147274817
(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-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane (CID 142863332) is N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane is CC.CC(=O)NC(CO)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane?
The InChIKey is CDCWDAODTGBFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2.C2H6/c1-6(15)13-10(5-14)7-2-3-9(12)8(11)4-7;1-2/h2-4,10,14H,5H2,1H3,(H,13,15);1-2H3.
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane?
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane has a molecular weight of 261.72 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane is sourced from PubChem (CID 142863332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).