2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide

C24H22F2N2O3 — CID 22492269

IUPAC2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide
SMILESO=C(CN(C(=O)Cc1cc(F)cc(F)c1)c1ccccc1)NCC(O)c1ccccc1
InChIInChI=1S/C24H22F2N2O3/c25-19-11-17(12-20(26)14-19)13-24(31)28(21-9-5-2-6-10-21)16-23(30)27-15-22(29)18-7-3-1-4-8-18/h1-12,14,22,29H,13,15-16H2,(H,27,30)
InChIKeyBWZLFSSJRPIBDL-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.39
Rot. Bonds8

About 2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide

2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide (PubChem CID 22492269) has the molecular formula C24H22F2N2O3 and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide
PubChem CID22492269
Molecular FormulaC24H22F2N2O3
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide
SMILESO=C(CN(C(=O)Cc1cc(F)cc(F)c1)c1ccccc1)NCC(O)c1ccccc1
InChIInChI=1S/C24H22F2N2O3/c25-19-11-17(12-20(26)14-19)13-24(31)28(21-9-5-2-6-10-21)16-23(30)27-15-22(29)18-7-3-1-4-8-18/h1-12,14,22,29H,13,15-16H2,(H,27,30)
InChIKeyBWZLFSSJRPIBDL-UHFFFAOYSA-N
XLogP3.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(N-[2-(N-[2-(3,5-difluorophenyl)acetyl]-4-fluoroanilino)acetyl]anilino)acetate
CID 22492252
2-(N-[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]anilino)acetic acid
CID 22894878
N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide
CID 112838540
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
2-[benzyl(methyl)amino]-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]acetamide
CID 94806000
2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391360
N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid
CID 70628020
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
methyl 2-(N-[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanoyl]anilino)acetate
CID 22894929
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
2-(2-aminophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43498529
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide (CID 22492269) is 2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide is O=C(CN(C(=O)Cc1cc(F)cc(F)c1)c1ccccc1)NCC(O)c1ccccc1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide?
The InChIKey is BWZLFSSJRPIBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O3/c25-19-11-17(12-20(26)14-19)13-24(31)28(21-9-5-2-6-10-21)16-23(30)27-15-22(29)18-7-3-1-4-8-18/h1-12,14,22,29H,13,15-16H2,(H,27,30).
What are the key properties of 2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide?
2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide has a molecular weight of 424.45 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-N-phenylacetamide is sourced from PubChem (CID 22492269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).