5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide

C22H21BrN2O4 — CID 55928894

IUPAC5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCCCOc1ccccc1
InChIInChI=1S/C22H21BrN2O4/c1-25(22(27)19-12-13-20(23)29-19)18-11-6-5-10-17(18)21(26)24-14-7-15-28-16-8-3-2-4-9-16/h2-6,8-13H,7,14-15H2,1H3,(H,24,26)
InChIKeyAWPBWLJCGZWPLA-UHFFFAOYSA-N
MW457.32 g/mol
LogP4.52
Rot. Bonds8

About 5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide

5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 55928894) has the molecular formula C22H21BrN2O4 and a molecular weight of 457.32 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID55928894
Molecular FormulaC22H21BrN2O4
Molecular Weight457.32 g/mol
Exact Mass456.07
IUPAC Name5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCCCOc1ccccc1
InChIInChI=1S/C22H21BrN2O4/c1-25(22(27)19-12-13-20(23)29-19)18-11-6-5-10-17(18)21(26)24-14-7-15-28-16-8-3-2-4-9-16/h2-6,8-13H,7,14-15H2,1H3,(H,24,26)
InChIKeyAWPBWLJCGZWPLA-UHFFFAOYSA-N
XLogP4.52
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-methyl-N-[2-[3-(methylamino)propylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119432173
5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4683297
5-bromo-N-methyl-N-[2-(3-phenylprop-2-ynylcarbamoyl)phenyl]furan-2-carboxamide
CID 55929010
5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55791443
5-bromo-N-[2-[[3-(3-cyanopropoxy)phenyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55993094
5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55791780
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-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoyl)phenyl]-N-methylfuran-2-carboxamide
CID 55965542
5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
CID 18113432
5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55786558

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide (CID 55928894) is 5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide is CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCCCOc1ccccc1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is AWPBWLJCGZWPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4/c1-25(22(27)19-12-13-20(23)29-19)18-11-6-5-10-17(18)21(26)24-14-7-15-28-16-8-3-2-4-9-16/h2-6,8-13H,7,14-15H2,1H3,(H,24,26).
What are the key properties of 5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide?
5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 457.32 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55928894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).