N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide

C23H20F2N2O2 — CID 9376956

IUPACN-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H20F2N2O2/c1-15(17-11-12-19(24)20(25)13-17)26-14-22(28)27-21-10-6-5-9-18(21)23(29)16-7-3-2-4-8-16/h2-13,15,26H,14H2,1H3,(H,27,28)/t15-/m1/s1
InChIKeyOTGQQEDXKSKIRT-OAHLLOKOSA-N
MW394.42 g/mol
LogP4.49
Rot. Bonds7

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

N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (PubChem CID 9376956) has the molecular formula C23H20F2N2O2 and a molecular weight of 394.42 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
PubChem CID9376956
Molecular FormulaC23H20F2N2O2
Molecular Weight394.42 g/mol
Exact Mass394.15
IUPAC NameN-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H20F2N2O2/c1-15(17-11-12-19(24)20(25)13-17)26-14-22(28)27-21-10-6-5-9-18(21)23(29)16-7-3-2-4-8-16/h2-13,15,26H,14H2,1H3,(H,27,28)/t15-/m1/s1
InChIKeyOTGQQEDXKSKIRT-OAHLLOKOSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9376746
N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377065
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 9376373
2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 40939435
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 9376646
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376424
N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336592
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8638816
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
methyl 3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-4-methylbenzoate
CID 9375605

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (CID 9376956) is N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is C[C@@H](NCC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The InChIKey is OTGQQEDXKSKIRT-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H20F2N2O2/c1-15(17-11-12-19(24)20(25)13-17)26-14-22(28)27-21-10-6-5-9-18(21)23(29)16-7-3-2-4-8-16/h2-13,15,26H,14H2,1H3,(H,27,28)/t15-/m1/s1.
What are the key properties of N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide has a molecular weight of 394.42 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9376956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).