2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide

C22H21FN2O5 — CID 8501196

IUPAC2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)COc1ccccc1F
InChIInChI=1S/C22H21FN2O5/c1-28-20-11-5-3-9-18(20)24-21(26)14-25(13-16-7-6-12-29-16)22(27)15-30-19-10-4-2-8-17(19)23/h2-12H,13-15H2,1H3,(H,24,26)
InChIKeyBZFNETKZCINFJV-UHFFFAOYSA-N
MW412.42 g/mol
LogP3.47
Rot. Bonds9

About 2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide

2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 8501196) has the molecular formula C22H21FN2O5 and a molecular weight of 412.42 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide
PubChem CID8501196
Molecular FormulaC22H21FN2O5
Molecular Weight412.42 g/mol
Exact Mass412.14
IUPAC Name2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)COc1ccccc1F
InChIInChI=1S/C22H21FN2O5/c1-28-20-11-5-3-9-18(20)24-21(26)14-25(13-16-7-6-12-29-16)22(27)15-30-19-10-4-2-8-17(19)23/h2-12H,13-15H2,1H3,(H,24,26)
InChIKeyBZFNETKZCINFJV-UHFFFAOYSA-N
XLogP3.47
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]carbamate
CID 9438034
N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9438050
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 4781645
2-(2-fluorophenoxy)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 71781332
4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 2604003
N-(2,6-difluorophenyl)-2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 26266266
2-(2-aminophenoxy)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 61110180
N-(2-ethoxyphenyl)-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150359
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42698044
2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 26999891
N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide
CID 50967845
2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 8005528

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide (CID 8501196) is 2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)COc1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is BZFNETKZCINFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5/c1-28-20-11-5-3-9-18(20)24-21(26)14-25(13-16-7-6-12-29-16)22(27)15-30-19-10-4-2-8-17(19)23/h2-12H,13-15H2,1H3,(H,24,26).
What are the key properties of 2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide?
2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 412.42 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 8501196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).