N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide

C11H11ClF3NO — CID 139194092

IUPACN-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
SMILESCC(=O)N[C@@H](CC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C11H11ClF3NO/c1-7(17)16-10(6-11(13,14)15)8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyXNEYVSSWGUMWGR-JTQLQIEISA-N
MW265.66 g/mol
LogP3.47
Rot. Bonds3

About N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide

N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide (PubChem CID 139194092) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
PubChem CID139194092
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC NameN-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
SMILESCC(=O)N[C@@H](CC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C11H11ClF3NO/c1-7(17)16-10(6-11(13,14)15)8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyXNEYVSSWGUMWGR-JTQLQIEISA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
N-[(1R)-3,3,3-trifluoro-1-(3-formylphenyl)propyl]acetamide
CID 129412242
N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 124640511
N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
CID 86045214
N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
CID 129412239
N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide
CID 129412209
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
(3S)-3-acetamido-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-phenylpropanamide
CID 9164771
2-acetamido-2-(3-chlorophenyl)acetamide
CID 121264323
3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide
CID 110676844
1-[1-(3-chlorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134201
3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110676801

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide (CID 139194092) is N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide is CC(=O)N[C@@H](CC(F)(F)F)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide?
The InChIKey is XNEYVSSWGUMWGR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11ClF3NO/c1-7(17)16-10(6-11(13,14)15)8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide?
N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide has a molecular weight of 265.66 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide is sourced from PubChem (CID 139194092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).