2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide

C16H15F3N2O — CID 9376532

IUPAC2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F3N2O/c1-10(11-2-7-14(18)15(19)8-11)20-9-16(22)21-13-5-3-12(17)4-6-13/h2-8,10,20H,9H2,1H3,(H,21,22)/t10-/m0/s1
InChIKeyFFGZMWSEDRIIPJ-JTQLQIEISA-N
MW308.30 g/mol
LogP3.39
Rot. Bonds5

About 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide

2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 9376532) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID9376532
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F3N2O/c1-10(11-2-7-14(18)15(19)8-11)20-9-16(22)21-13-5-3-12(17)4-6-13/h2-8,10,20H,9H2,1H3,(H,21,22)/t10-/m0/s1
InChIKeyFFGZMWSEDRIIPJ-JTQLQIEISA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9376391
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376473
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9376746
N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376760
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 9376646
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9377140

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide (CID 9376532) is 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide is C[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is FFGZMWSEDRIIPJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-10(11-2-7-14(18)15(19)8-11)20-9-16(22)21-13-5-3-12(17)4-6-13/h2-8,10,20H,9H2,1H3,(H,21,22)/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide?
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 308.30 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9376532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).