5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide

C16H17BrN2O5 — CID 108539867

IUPAC5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H17BrN2O5/c1-10(23-12-4-2-11(20)3-5-12)15(21)18-8-9-19-16(22)13-6-7-14(17)24-13/h2-7,10,20H,8-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyIMMVMAUHNZGEDY-UHFFFAOYSA-N
MW397.23 g/mol
LogP2.06
Rot. Bonds7

About 5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide

5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide (PubChem CID 108539867) has the molecular formula C16H17BrN2O5 and a molecular weight of 397.23 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide
PubChem CID108539867
Molecular FormulaC16H17BrN2O5
Molecular Weight397.23 g/mol
Exact Mass396.03
IUPAC Name5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H17BrN2O5/c1-10(23-12-4-2-11(20)3-5-12)15(21)18-8-9-19-16(22)13-6-7-14(17)24-13/h2-7,10,20H,8-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyIMMVMAUHNZGEDY-UHFFFAOYSA-N
XLogP2.06
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide
CID 108540374
5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide
CID 17169354
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide
CID 108539863
5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 55347873
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide
CID 108539918
5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 108537811
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide
CID 108539914
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-2-carboxamide
CID 108539927
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide (CID 108539867) is 5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide is CC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide?
The InChIKey is IMMVMAUHNZGEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O5/c1-10(23-12-4-2-11(20)3-5-12)15(21)18-8-9-19-16(22)13-6-7-14(17)24-13/h2-7,10,20H,8-9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide?
5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide has a molecular weight of 397.23 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 108539867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).