2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide

C16H16F2N2O — CID 9369815

IUPAC2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O/c1-11(14-8-7-12(17)9-15(14)18)19-10-16(21)20-13-5-3-2-4-6-13/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyHOWPHZACLLYJGJ-NSHDSACASA-N
MW290.31 g/mol
LogP3.25
Rot. Bonds5

About 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide (PubChem CID 9369815) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
PubChem CID9369815
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O/c1-11(14-8-7-12(17)9-15(14)18)19-10-16(21)20-13-5-3-2-4-6-13/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyHOWPHZACLLYJGJ-NSHDSACASA-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

N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9370392
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9369627
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757
N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369777
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370543
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370539
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9369939
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 9369657
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8593623
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9370429
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide (CID 9369815) is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide is C[C@H](NCC(=O)Nc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide?
The InChIKey is HOWPHZACLLYJGJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-11(14-8-7-12(17)9-15(14)18)19-10-16(21)20-13-5-3-2-4-6-13/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide?
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide 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 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide is sourced from PubChem (CID 9369815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).