2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide

C26H27F2N3O4 — CID 4059297

IUPAC2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)Nc1cccc(F)c1)N(Cc1ccc(F)cc1)Cc1ccco1
InChIInChI=1S/C26H27F2N3O4/c27-20-10-8-19(9-11-20)15-30(16-23-6-2-12-34-23)25(32)18-31(17-24-7-3-13-35-24)26(33)29-22-5-1-4-21(28)14-22/h1-2,4-6,8-12,14,24H,3,7,13,15-18H2,(H,29,33)
InChIKeyAXTYJPFBBJETQT-UHFFFAOYSA-N
MW483.52 g/mol
LogP4.80
Rot. Bonds9

About 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide

2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 4059297) has the molecular formula C26H27F2N3O4 and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID4059297
Molecular FormulaC26H27F2N3O4
Molecular Weight483.52 g/mol
Exact Mass483.20
IUPAC Name2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)Nc1cccc(F)c1)N(Cc1ccc(F)cc1)Cc1ccco1
InChIInChI=1S/C26H27F2N3O4/c27-20-10-8-19(9-11-20)15-30(16-23-6-2-12-34-23)25(32)18-31(17-24-7-3-13-35-24)26(33)29-22-5-1-4-21(28)14-22/h1-2,4-6,8-12,14,24H,3,7,13,15-18H2,(H,29,33)
InChIKeyAXTYJPFBBJETQT-UHFFFAOYSA-N
XLogP4.80
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5244605
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-difluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4055529
2-[(3-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 3577808
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]nonanamide
CID 98396498
3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94652128
2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3346955
N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3682047
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 60577582
3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1058655
2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-propylacetamide
CID 3963586
N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 1058846
N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 1058845

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide (CID 4059297) is 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide is O=C(CN(CC1CCCO1)C(=O)Nc1cccc(F)c1)N(Cc1ccc(F)cc1)Cc1ccco1.
What is the InChIKey of 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is AXTYJPFBBJETQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O4/c27-20-10-8-19(9-11-20)15-30(16-23-6-2-12-34-23)25(32)18-31(17-24-7-3-13-35-24)26(33)29-22-5-1-4-21(28)14-22/h1-2,4-6,8-12,14,24H,3,7,13,15-18H2,(H,29,33).
What are the key properties of 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 483.52 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 4059297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).