N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide

C16H16F2N2O — CID 78289102

IUPACN-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
SMILESCC(NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H16F2N2O/c1-11(12-5-3-2-4-6-12)19-10-16(21)20-13-7-8-14(17)15(18)9-13/h2-9,11,19H,10H2,1H3,(H,20,21)
InChIKeyZCVJCXODODFZBB-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.25
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide

N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide (PubChem CID 78289102) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
PubChem CID78289102
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
SMILESCC(NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H16F2N2O/c1-11(12-5-3-2-4-6-12)19-10-16(21)20-13-7-8-14(17)15(18)9-13/h2-9,11,19H,10H2,1H3,(H,20,21)
InChIKeyZCVJCXODODFZBB-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684031
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9306767
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 84867134
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360
N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898768
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9376391

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide (CID 78289102) is N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide is CC(NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide?
The InChIKey is ZCVJCXODODFZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-11(12-5-3-2-4-6-12)19-10-16(21)20-13-7-8-14(17)15(18)9-13/h2-9,11,19H,10H2,1H3,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide?
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide has a molecular weight of 290.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide is sourced from PubChem (CID 78289102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).