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

C15H15BrN2O4 — CID 108537811

IUPAC5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H15BrN2O4/c1-21-11-4-2-10(3-5-11)14(19)17-8-9-18-15(20)12-6-7-13(16)22-12/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyQEFZGEXCWPSNAH-UHFFFAOYSA-N
MW367.20 g/mol
LogP2.21
Rot. Bonds6

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

5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide (PubChem CID 108537811) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is 5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
PubChem CID108537811
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Name5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H15BrN2O4/c1-21-11-4-2-10(3-5-11)14(19)17-8-9-18-15(20)12-6-7-13(16)22-12/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyQEFZGEXCWPSNAH-UHFFFAOYSA-N
XLogP2.21
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[(5-bromofuran-2-carbonyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537549
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
CID 18113432
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119505166
2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
CID 7458489
5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide
CID 108539867
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide (CID 108537811) is 5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide is COc1ccc(C(=O)NCCNC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is QEFZGEXCWPSNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c1-21-11-4-2-10(3-5-11)14(19)17-8-9-18-15(20)12-6-7-13(16)22-12/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide?
5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 367.20 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 108537811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).