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

C14H14BrNO3 — CID 18113432

IUPAC5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
SMILESCc1ccc(OCCNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H14BrNO3/c1-10-2-4-11(5-3-10)18-9-8-16-14(17)12-6-7-13(15)19-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyJBYCONCWWOWWKU-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.16
Rot. Bonds5

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

5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide (PubChem CID 18113432) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
PubChem CID18113432
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
SMILESCc1ccc(OCCNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H14BrNO3/c1-10-2-4-11(5-3-10)18-9-8-16-14(17)12-6-7-13(15)19-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyJBYCONCWWOWWKU-UHFFFAOYSA-N
XLogP3.16
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.16
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

2-(4-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883797
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
CID 51157250
5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 108537811
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386
2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883800
2-(3-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899388
5-bromo-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]furan-2-carboxamide
CID 4503360
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide
CID 106306986

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide (CID 18113432) is 5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide is Cc1ccc(OCCNC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide?
The InChIKey is JBYCONCWWOWWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-10-2-4-11(5-3-10)18-9-8-16-14(17)12-6-7-13(15)19-12/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide is sourced from PubChem (CID 18113432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).