5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide

C21H19BrN2O3 — CID 4683297

IUPAC5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C21H19BrN2O3/c1-24(21(26)18-11-12-19(22)27-18)17-10-6-5-9-16(17)20(25)23-14-13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyOXGPEDAIBRWBKT-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.29
Rot. Bonds6

About 5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide

5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 4683297) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID4683297
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC Name5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C21H19BrN2O3/c1-24(21(26)18-11-12-19(22)27-18)17-10-6-5-9-16(17)20(25)23-14-13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyOXGPEDAIBRWBKT-UHFFFAOYSA-N
XLogP4.29
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55791780
5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55791443
5-bromo-N-methyl-N-[2-[3-(methylamino)propylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119432173
5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55928894
5-bromo-N-methyl-N-[2-(3-phenylprop-2-ynylcarbamoyl)phenyl]furan-2-carboxamide
CID 55929010
5-bromo-N-[2-[[4-(carbamoylamino)phenyl]methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 112838198
N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 120507749
5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55786676
5-bromo-N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55981246
5-bromo-N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoyl)phenyl]-N-methylfuran-2-carboxamide
CID 55965542
5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55786558
N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922676

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide (CID 4683297) is 5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide is CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is OXGPEDAIBRWBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-24(21(26)18-11-12-19(22)27-18)17-10-6-5-9-16(17)20(25)23-14-13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,23,25).
What are the key properties of 5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide?
5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 4683297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).