N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide

C26H28FN3O4 — CID 5244605

IUPACN-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)Nc1ccccc1F)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C26H28FN3O4/c27-23-12-4-5-13-24(23)28-26(32)30(18-22-11-7-15-34-22)19-25(31)29(17-21-10-6-14-33-21)16-20-8-2-1-3-9-20/h1-6,8-10,12-14,22H,7,11,15-19H2,(H,28,32)
InChIKeyPIBNGZAXQUBVTK-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.66
Rot. Bonds9

About N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 5244605) has the molecular formula C26H28FN3O4 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID5244605
Molecular FormulaC26H28FN3O4
Molecular Weight465.53 g/mol
Exact Mass465.21
IUPAC NameN-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)Nc1ccccc1F)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C26H28FN3O4/c27-23-12-4-5-13-24(23)28-26(32)30(18-22-11-7-15-34-22)19-25(31)29(17-21-10-6-14-33-21)16-20-8-2-1-3-9-20/h1-6,8-10,12-14,22H,7,11,15-19H2,(H,28,32)
InChIKeyPIBNGZAXQUBVTK-UHFFFAOYSA-N
XLogP4.66
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3682047
1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
CID 47070305
2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3430030
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-difluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4055529
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3556620
2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4059297
N-(2-fluorophenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 86842664
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-(2-phenylphenyl)urea
CID 60577038
3-(3-chloro-2-fluorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577089
N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4174401
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 60577749

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 5244605) is N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide is O=C(CN(CC1CCCO1)C(=O)Nc1ccccc1F)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is PIBNGZAXQUBVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4/c27-23-12-4-5-13-24(23)28-26(32)30(18-22-11-7-15-34-22)19-25(31)29(17-21-10-6-14-33-21)16-20-8-2-1-3-9-20/h1-6,8-10,12-14,22H,7,11,15-19H2,(H,28,32).
What are the key properties of N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 465.53 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 5244605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).