N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide

C9H11BrN2O3 — CID 106852672

IUPACN-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
SMILESNC(=O)CCCNC(=O)c1ccoc1Br
InChIInChI=1S/C9H11BrN2O3/c10-8-6(3-5-15-8)9(14)12-4-1-2-7(11)13/h3,5H,1-2,4H2,(H2,11,13)(H,12,14)
InChIKeyQOYYVGCOXAXMKG-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.04
Rot. Bonds5

About N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide

N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide (PubChem CID 106852672) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
PubChem CID106852672
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC NameN-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
SMILESNC(=O)CCCNC(=O)c1ccoc1Br
InChIInChI=1S/C9H11BrN2O3/c10-8-6(3-5-15-8)9(14)12-4-1-2-7(11)13/h3,5H,1-2,4H2,(H2,11,13)(H,12,14)
InChIKeyQOYYVGCOXAXMKG-UHFFFAOYSA-N
XLogP1.04
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-5-oxopentyl)-2-bromofuran-3-carboxamide
CID 106899036
2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
2-bromo-N-[3-(ethylamino)propyl]furan-3-carboxamide
CID 106855035
2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
CID 106852493
N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide
CID 106812546
N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide
CID 106850800
2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide
CID 106898976
2-bromo-N-(3-bromopentyl)furan-3-carboxamide
CID 106856213
2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
CID 106898564
2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide
CID 106852683
2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide
CID 106855106
2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide
CID 106854397

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide (CID 106852672) is N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide is NC(=O)CCCNC(=O)c1ccoc1Br.
What is the InChIKey of N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide?
The InChIKey is QOYYVGCOXAXMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c10-8-6(3-5-15-8)9(14)12-4-1-2-7(11)13/h3,5H,1-2,4H2,(H2,11,13)(H,12,14).
What are the key properties of N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide?
N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide has a molecular weight of 275.10 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide is sourced from PubChem (CID 106852672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).