2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide

C21H19BrN2O4 — CID 26999891

IUPAC2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
SMILESO=C(CN(Cc1ccco1)C(=O)COc1ccc(Br)cc1)Nc1ccccc1
InChIInChI=1S/C21H19BrN2O4/c22-16-8-10-18(11-9-16)28-15-21(26)24(13-19-7-4-12-27-19)14-20(25)23-17-5-2-1-3-6-17/h1-12H,13-15H2,(H,23,25)
InChIKeyHSJZJNBMNCNLAL-UHFFFAOYSA-N
MW443.30 g/mol
LogP4.09
Rot. Bonds8

About 2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide

2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide (PubChem CID 26999891) has the molecular formula C21H19BrN2O4 and a molecular weight of 443.30 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
PubChem CID26999891
Molecular FormulaC21H19BrN2O4
Molecular Weight443.30 g/mol
Exact Mass442.05
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
SMILESO=C(CN(Cc1ccco1)C(=O)COc1ccc(Br)cc1)Nc1ccccc1
InChIInChI=1S/C21H19BrN2O4/c22-16-8-10-18(11-9-16)28-15-21(26)24(13-19-7-4-12-27-19)14-20(25)23-17-5-2-1-3-6-17/h1-12H,13-15H2,(H,23,25)
InChIKeyHSJZJNBMNCNLAL-UHFFFAOYSA-N
XLogP4.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 18098352
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide
CID 47012190
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 18291878
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 24518090
2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 5067624
(E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 24518032
N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830857
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
CID 5437642
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 43034035
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18098369

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide (CID 26999891) is 2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide is O=C(CN(Cc1ccco1)C(=O)COc1ccc(Br)cc1)Nc1ccccc1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide?
The InChIKey is HSJZJNBMNCNLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O4/c22-16-8-10-18(11-9-16)28-15-21(26)24(13-19-7-4-12-27-19)14-20(25)23-17-5-2-1-3-6-17/h1-12H,13-15H2,(H,23,25).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide?
2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide has a molecular weight of 443.30 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide is sourced from PubChem (CID 26999891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).