5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide

C27H23BrN2O4 — CID 17200032

IUPAC5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
SMILESO=C(NCc1ccco1)c1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1
InChIInChI=1S/C27H23BrN2O4/c28-21-11-12-25(34-15-13-19-6-2-1-3-7-19)24(17-21)27(32)30-22-9-4-8-20(16-22)26(31)29-18-23-10-5-14-33-23/h1-12,14,16-17H,13,15,18H2,(H,29,31)(H,30,32)
InChIKeyFKMLXHVMYFPPIP-UHFFFAOYSA-N
MW519.40 g/mol
LogP5.85
Rot. Bonds9

About 5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide

5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide (PubChem CID 17200032) has the molecular formula C27H23BrN2O4 and a molecular weight of 519.40 g/mol. Its IUPAC name is 5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
PubChem CID17200032
Molecular FormulaC27H23BrN2O4
Molecular Weight519.40 g/mol
Exact Mass518.08
IUPAC Name5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
SMILESO=C(NCc1ccco1)c1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1
InChIInChI=1S/C27H23BrN2O4/c28-21-11-12-25(34-15-13-19-6-2-1-3-7-19)24(17-21)27(32)30-22-9-4-8-20(16-22)26(31)29-18-23-10-5-14-33-23/h1-12,14,16-17H,13,15,18H2,(H,29,31)(H,30,32)
InChIKeyFKMLXHVMYFPPIP-UHFFFAOYSA-N
XLogP5.85
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.40
LogP ≤ 55.85
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
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17231903
5-bromo-N-[3-(diethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17194642
N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 28638963
2-(2-ethoxyethoxy)-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17200047
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide
CID 2211304
5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17098212
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-phenylethoxy)benzamide
CID 17204640
5-bromo-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 26158208
5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086780

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The IUPAC name of 5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide (CID 17200032) is 5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide is O=C(NCc1ccco1)c1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1.
What is the InChIKey of 5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The InChIKey is FKMLXHVMYFPPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrN2O4/c28-21-11-12-25(34-15-13-19-6-2-1-3-7-19)24(17-21)27(32)30-22-9-4-8-20(16-22)26(31)29-18-23-10-5-14-33-23/h1-12,14,16-17H,13,15,18H2,(H,29,31)(H,30,32).
What are the key properties of 5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide has a molecular weight of 519.40 g/mol, XLogP of 5.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17200032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).