5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide

C20H20BrNO3 — CID 19225305

IUPAC5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCCCCCOc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1
InChIInChI=1S/C20H20BrNO3/c1-2-3-4-11-24-17-8-6-16(7-9-17)22-20(23)19-13-14-12-15(21)5-10-18(14)25-19/h5-10,12-13H,2-4,11H2,1H3,(H,22,23)
InChIKeyQADPBWGACOQRQO-UHFFFAOYSA-N
MW402.29 g/mol
LogP6.02
Rot. Bonds7

About 5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide

5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 19225305) has the molecular formula C20H20BrNO3 and a molecular weight of 402.29 g/mol. Its IUPAC name is 5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID19225305
Molecular FormulaC20H20BrNO3
Molecular Weight402.29 g/mol
Exact Mass401.06
IUPAC Name5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCCCCCOc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1
InChIInChI=1S/C20H20BrNO3/c1-2-3-4-11-24-17-8-6-16(7-9-17)22-20(23)19-13-14-12-15(21)5-10-18(14)25-19/h5-10,12-13H,2-4,11H2,1H3,(H,22,23)
InChIKeyQADPBWGACOQRQO-UHFFFAOYSA-N
XLogP6.02
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.29
LogP ≤ 56.02
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-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide
CID 82344339
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide
CID 4951508
5-bromo-N-pentyl-1-benzofuran-2-carboxamide
CID 19225268
N-(6-bromo-2-oxochromen-3-yl)-4-butoxybenzamide
CID 15998321
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456
2-methylpropyl 4-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225315
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 19225383
ethyl 2-[4-[4-[(5-bromo-1-benzofuran-2-carbonyl)amino]phenoxy]-3-chlorophenyl]acetate
CID 70985035
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide (CID 19225305) is 5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide is CCCCCOc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1.
What is the InChIKey of 5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is QADPBWGACOQRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO3/c1-2-3-4-11-24-17-8-6-16(7-9-17)22-20(23)19-13-14-12-15(21)5-10-18(14)25-19/h5-10,12-13H,2-4,11H2,1H3,(H,22,23).
What are the key properties of 5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide?
5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 402.29 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19225305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).