N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide

C16H16FNO — CID 2713141

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
SMILESC[C@H](NC(=O)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO/c1-12(14-7-9-15(17)10-8-14)18-16(19)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyBEECSMWWLSKPCF-LBPRGKRZSA-N
MW257.31 g/mol
LogP3.25
Rot. Bonds4

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide (PubChem CID 2713141) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
PubChem CID2713141
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
SMILESC[C@H](NC(=O)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO/c1-12(14-7-9-15(17)10-8-14)18-16(19)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyBEECSMWWLSKPCF-LBPRGKRZSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133189879
2-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 41236910

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide (CID 2713141) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide is C[C@H](NC(=O)Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide?
The InChIKey is BEECSMWWLSKPCF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16FNO/c1-12(14-7-9-15(17)10-8-14)18-16(19)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide has a molecular weight of 257.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 2713141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).