5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide

C19H23BrN2O4 — CID 108540374

IUPAC5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C19H23BrN2O4/c1-12(2)14-6-4-5-7-15(14)25-13(3)18(23)21-10-11-22-19(24)16-8-9-17(20)26-16/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVOQHIRHFZKPNBO-UHFFFAOYSA-N
MW423.31 g/mol
LogP3.48
Rot. Bonds8

About 5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide

5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide (PubChem CID 108540374) has the molecular formula C19H23BrN2O4 and a molecular weight of 423.31 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide
PubChem CID108540374
Molecular FormulaC19H23BrN2O4
Molecular Weight423.31 g/mol
Exact Mass422.08
IUPAC Name5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C19H23BrN2O4/c1-12(2)14-6-4-5-7-15(14)25-13(3)18(23)21-10-11-22-19(24)16-8-9-17(20)26-16/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVOQHIRHFZKPNBO-UHFFFAOYSA-N
XLogP3.48
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 53.48
H-Bond Donors ≤ 52
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-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide
CID 108539867
3-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108539653
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide
CID 108539272
N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide
CID 108541360
4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108541365
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30379413
3-chloro-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108539503
N-[2-(ethylsulfonylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108572582
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
CID 51157250
N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43916344
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92647143

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide (CID 108540374) is 5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide is CC(Oc1ccccc1C(C)C)C(=O)NCCNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide?
The InChIKey is VOQHIRHFZKPNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4/c1-12(2)14-6-4-5-7-15(14)25-13(3)18(23)21-10-11-22-19(24)16-8-9-17(20)26-16/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide?
5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide has a molecular weight of 423.31 g/mol, XLogP of 3.48, 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-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 108540374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).