2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide

C23H22ClNO3 — CID 5437642

IUPAC2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
SMILESC/C(=C\c1ccccc1)CN(Cc1ccco1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C23H22ClNO3/c1-18(14-19-6-3-2-4-7-19)15-25(16-22-8-5-13-27-22)23(26)17-28-21-11-9-20(24)10-12-21/h2-14H,15-17H2,1H3/b18-14+
InChIKeyJYIPEMCRXSGNKZ-NBVRZTHBSA-N
MW395.89 g/mol
LogP5.44
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide

2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide (PubChem CID 5437642) has the molecular formula C23H22ClNO3 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
PubChem CID5437642
Molecular FormulaC23H22ClNO3
Molecular Weight395.89 g/mol
Exact Mass395.13
IUPAC Name2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
SMILESC/C(=C\c1ccccc1)CN(Cc1ccco1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C23H22ClNO3/c1-18(14-19-6-3-2-4-7-19)15-25(16-22-8-5-13-27-22)23(26)17-28-21-11-9-20(24)10-12-21/h2-14H,15-17H2,1H3/b18-14+
InChIKeyJYIPEMCRXSGNKZ-NBVRZTHBSA-N
XLogP5.44
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4161219
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 35181974
2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911221
N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide
CID 42709076
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide
CID 5226008
N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830857
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42698044
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 26999891
2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4222099
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3373535

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide (CID 5437642) is 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide is C/C(=C\c1ccccc1)CN(Cc1ccco1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide?
The InChIKey is JYIPEMCRXSGNKZ-NBVRZTHBSA-N. The full InChI is InChI=1S/C23H22ClNO3/c1-18(14-19-6-3-2-4-7-19)15-25(16-22-8-5-13-27-22)23(26)17-28-21-11-9-20(24)10-12-21/h2-14H,15-17H2,1H3/b18-14+.
What are the key properties of 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide?
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide has a molecular weight of 395.89 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide is sourced from PubChem (CID 5437642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).