5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide

C18H22BrNO3 — CID 4951508

IUPAC5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide
SMILESCCCCCCCOc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C18H22BrNO3/c1-2-3-4-5-6-13-22-15-9-7-14(8-10-15)20-18(21)16-11-12-17(19)23-16/h7-12H,2-6,13H2,1H3,(H,20,21)
InChIKeyWQJPXWIMLLXDOP-UHFFFAOYSA-N
MW380.28 g/mol
LogP5.64
Rot. Bonds9

About 5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide

5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide (PubChem CID 4951508) has the molecular formula C18H22BrNO3 and a molecular weight of 380.28 g/mol. Its IUPAC name is 5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide
PubChem CID4951508
Molecular FormulaC18H22BrNO3
Molecular Weight380.28 g/mol
Exact Mass379.08
IUPAC Name5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide
SMILESCCCCCCCOc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C18H22BrNO3/c1-2-3-4-5-6-13-22-15-9-7-14(8-10-15)20-18(21)16-11-12-17(19)23-16/h7-12H,2-6,13H2,1H3,(H,20,21)
InChIKeyWQJPXWIMLLXDOP-UHFFFAOYSA-N
XLogP5.64
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.28
LogP ≤ 55.64
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-amino-N-(4-hexoxyphenyl)furan-2-carboxamide
CID 82344339
5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19225305
5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46489816
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
5-bromo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]furan-2-carboxamide
CID 2435744
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 4939326
N-(4-decoxyphenyl)butanamide
CID 143303175
5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112841943

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide (CID 4951508) is 5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide is CCCCCCCOc1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide?
The InChIKey is WQJPXWIMLLXDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO3/c1-2-3-4-5-6-13-22-15-9-7-14(8-10-15)20-18(21)16-11-12-17(19)23-16/h7-12H,2-6,13H2,1H3,(H,20,21).
What are the key properties of 5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide?
5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide has a molecular weight of 380.28 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 4951508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).