N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide

C20H17BrN2O4 — CID 1002606

IUPACN-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc1
InChIInChI=1S/C20H17BrN2O4/c1-13(24)22-14-6-8-15(9-7-14)23-20(25)19-11-10-16(27-19)12-26-18-5-3-2-4-17(18)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyNXELNXANWVTAOP-UHFFFAOYSA-N
MW429.27 g/mol
LogP4.83
Rot. Bonds6

About N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide

N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide (PubChem CID 1002606) has the molecular formula C20H17BrN2O4 and a molecular weight of 429.27 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
PubChem CID1002606
Molecular FormulaC20H17BrN2O4
Molecular Weight429.27 g/mol
Exact Mass428.04
IUPAC NameN-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc1
InChIInChI=1S/C20H17BrN2O4/c1-13(24)22-14-6-8-15(9-7-14)23-20(25)19-11-10-16(27-19)12-26-18-5-3-2-4-17(18)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyNXELNXANWVTAOP-UHFFFAOYSA-N
XLogP4.83
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 19450312
5-[(2-bromophenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19448612
5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19450276
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide
CID 95744847
5-[(2-bromophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450410
5-[(2-bromophenoxy)methyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]furan-2-carboxamide
CID 95744203
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463236

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide (CID 1002606) is N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide?
The InChIKey is NXELNXANWVTAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O4/c1-13(24)22-14-6-8-15(9-7-14)23-20(25)19-11-10-16(27-19)12-26-18-5-3-2-4-17(18)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide?
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide has a molecular weight of 429.27 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 1002606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).