2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide

C22H20F2N2O2 — CID 9369657

IUPAC2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C22H20F2N2O2/c1-15(18-12-11-16(23)13-19(18)24)25-14-22(27)26-20-9-5-6-10-21(20)28-17-7-3-2-4-8-17/h2-13,15,25H,14H2,1H3,(H,26,27)/t15-/m1/s1
InChIKeyGLYBGBAPZIKEBJ-OAHLLOKOSA-N
MW382.41 g/mol
LogP5.05
Rot. Bonds7

About 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide

2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide (PubChem CID 9369657) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
PubChem CID9369657
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC Name2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C22H20F2N2O2/c1-15(18-12-11-16(23)13-19(18)24)25-14-22(27)26-20-9-5-6-10-21(20)28-17-7-3-2-4-8-17/h2-13,15,25H,14H2,1H3,(H,26,27)/t15-/m1/s1
InChIKeyGLYBGBAPZIKEBJ-OAHLLOKOSA-N
XLogP5.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9369939
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 41075466
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9369627
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9370429
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9369894
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9370342
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369741
N-(4-bromo-2-fluorophenyl)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369736
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

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide (CID 9369657) is 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide is C[C@@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is GLYBGBAPZIKEBJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c1-15(18-12-11-16(23)13-19(18)24)25-14-22(27)26-20-9-5-6-10-21(20)28-17-7-3-2-4-8-17/h2-13,15,25H,14H2,1H3,(H,26,27)/t15-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide?
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 382.41 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 9369657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).