5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide

C23H23BrN2O4 — CID 17050831

IUPAC5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C23H23BrN2O4/c1-15(2)14-30-21-10-9-16(24)12-19(21)23(28)26-20-8-4-3-7-18(20)22(27)25-13-17-6-5-11-29-17/h3-12,15H,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMZGNOYWMYZQFBH-UHFFFAOYSA-N
MW471.35 g/mol
LogP5.26
Rot. Bonds8

About 5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide

5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide (PubChem CID 17050831) has the molecular formula C23H23BrN2O4 and a molecular weight of 471.35 g/mol. Its IUPAC name is 5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
PubChem CID17050831
Molecular FormulaC23H23BrN2O4
Molecular Weight471.35 g/mol
Exact Mass470.08
IUPAC Name5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C23H23BrN2O4/c1-15(2)14-30-21-10-9-16(24)12-19(21)23(28)26-20-8-4-3-7-18(20)22(27)25-13-17-6-5-11-29-17/h3-12,15H,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMZGNOYWMYZQFBH-UHFFFAOYSA-N
XLogP5.26
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.35
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 17200035
5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17050842
3-bromo-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17352310
5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17050838
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17051643
2-[[2-(2-ethoxyethoxy)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17122769
5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130986
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357318
2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]benzoic acid
CID 54856145
3-bromo-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 17339737
2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 100698722
5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17200032

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of 5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide (CID 17050831) is 5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for 5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide is CC(C)COc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is MZGNOYWMYZQFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O4/c1-15(2)14-30-21-10-9-16(24)12-19(21)23(28)26-20-8-4-3-7-18(20)22(27)25-13-17-6-5-11-29-17/h3-12,15H,13-14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide?
5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide has a molecular weight of 471.35 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17050831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).