N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide

C10H11ClFNO — CID 169452749

IUPACN-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H11ClFNO/c1-6(13-7(2)14)8-3-9(11)5-10(12)4-8/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1
InChIKeyUITKLCSYIUGNOE-LURJTMIESA-N
MW215.66 g/mol
LogP2.68
Rot. Bonds2

About N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide

N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide (PubChem CID 169452749) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
PubChem CID169452749
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC NameN-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H11ClFNO/c1-6(13-7(2)14)8-3-9(11)5-10(12)4-8/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1
InChIKeyUITKLCSYIUGNOE-LURJTMIESA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 885659
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
2-chloro-N-(1-(3,4-dichlorophenyl)ethyl)acetamide
CID 3686662
N-(1-phenylethyl)acetamide
CID 222023
(R)-N-acetyl-1-phenylethylamine
CID 735802
N-[(2,6-dichlorophenyl)methyl]acetamide
CID 602663
N-(4-chlorobenzyl)-2-ethylbutanamide
CID 882084
(E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide
CID 2598217
2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4881897
N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 2854245
1-(N-Acetylamino)-2-(4-chlorophenyl)-ethane
CID 9877644
N-[(4-chlorophenyl)methyl]pentanamide
CID 2169936

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide?
The IUPAC name of N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide (CID 169452749) is N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide is CC(=O)N[C@@H](C)c1cc(F)cc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide?
The InChIKey is UITKLCSYIUGNOE-LURJTMIESA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-6(13-7(2)14)8-3-9(11)5-10(12)4-8/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide?
N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide has a molecular weight of 215.66 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 169452749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).