5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide

C21H18BrClN2O3 — CID 55791780

IUPAC5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C21H18BrClN2O3/c1-25(21(27)18-9-10-19(22)28-18)17-8-3-2-7-16(17)20(26)24-12-11-14-5-4-6-15(23)13-14/h2-10,13H,11-12H2,1H3,(H,24,26)
InChIKeyTYBODMOHIKKAIW-UHFFFAOYSA-N
MW461.74 g/mol
LogP4.94
Rot. Bonds6

About 5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide

5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide (PubChem CID 55791780) has the molecular formula C21H18BrClN2O3 and a molecular weight of 461.74 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
PubChem CID55791780
Molecular FormulaC21H18BrClN2O3
Molecular Weight461.74 g/mol
Exact Mass460.02
IUPAC Name5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C21H18BrClN2O3/c1-25(21(27)18-9-10-19(22)28-18)17-8-3-2-7-16(17)20(26)24-12-11-14-5-4-6-15(23)13-14/h2-10,13H,11-12H2,1H3,(H,24,26)
InChIKeyTYBODMOHIKKAIW-UHFFFAOYSA-N
XLogP4.94
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.74
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 120507749
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5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55786558
5-bromo-N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoyl)phenyl]-N-methylfuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide (CID 55791780) is 5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide is CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The InChIKey is TYBODMOHIKKAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN2O3/c1-25(21(27)18-9-10-19(22)28-18)17-8-3-2-7-16(17)20(26)24-12-11-14-5-4-6-15(23)13-14/h2-10,13H,11-12H2,1H3,(H,24,26).
What are the key properties of 5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide?
5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide has a molecular weight of 461.74 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 55791780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).