5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide

C16H18BrNO3 — CID 47060838

IUPAC5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide
SMILESO=C(NCCCOCCc1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C16H18BrNO3/c17-15-8-7-14(21-15)16(19)18-10-4-11-20-12-9-13-5-2-1-3-6-13/h1-3,5-8H,4,9-12H2,(H,18,19)
InChIKeyQLONJTPFCRANAQ-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.42
Rot. Bonds8

About 5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide

5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide (PubChem CID 47060838) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide
PubChem CID47060838
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide
SMILESO=C(NCCCOCCc1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C16H18BrNO3/c17-15-8-7-14(21-15)16(19)18-10-4-11-20-12-9-13-5-2-1-3-6-13/h1-3,5-8H,4,9-12H2,(H,18,19)
InChIKeyQLONJTPFCRANAQ-UHFFFAOYSA-N
XLogP3.42
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide
CID 106306986
2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119944824
benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate
CID 108571926
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
CID 51157250
5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
CID 115635897
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide
CID 86821054
5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 55707431
3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119739690
N-[6-(2-phenylethoxy)hexyl]acetamide
CID 67657412
5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide
CID 90499560

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide (CID 47060838) is 5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide is O=C(NCCCOCCc1ccccc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide?
The InChIKey is QLONJTPFCRANAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c17-15-8-7-14(21-15)16(19)18-10-4-11-20-12-9-13-5-2-1-3-6-13/h1-3,5-8H,4,9-12H2,(H,18,19).
What are the key properties of 5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide?
5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide is sourced from PubChem (CID 47060838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).