N-(5-bromopentyl)furan-2-carboxamide

C10H14BrNO2 — CID 107322078

IUPACN-(5-bromopentyl)furan-2-carboxamide
SMILESO=C(NCCCCCBr)c1ccco1
InChIInChI=1S/C10H14BrNO2/c11-6-2-1-3-7-12-10(13)9-5-4-8-14-9/h4-5,8H,1-3,6-7H2,(H,12,13)
InChIKeyZYQIPZXYTGZZDY-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.57
Rot. Bonds6

About N-(5-bromopentyl)furan-2-carboxamide

N-(5-bromopentyl)furan-2-carboxamide (PubChem CID 107322078) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is N-(5-bromopentyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentyl)furan-2-carboxamide
PubChem CID107322078
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC NameN-(5-bromopentyl)furan-2-carboxamide
SMILESO=C(NCCCCCBr)c1ccco1
InChIInChI=1S/C10H14BrNO2/c11-6-2-1-3-7-12-10(13)9-5-4-8-14-9/h4-5,8H,1-3,6-7H2,(H,12,13)
InChIKeyZYQIPZXYTGZZDY-UHFFFAOYSA-N
XLogP2.57
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
CID 106307618
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-(3-formamidopropyl)furan-2-carboxamide
CID 110461151
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
N-pent-4-ynylfuran-2-carboxamide
CID 103708847
N-[3-[(2-aminobenzoyl)amino]propyl]furan-2-carboxamide
CID 24824972
3-(furan-2-carbonylamino)propanoic acid
CID 762504
7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid
CID 43358988
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-(2-hydroxyethylamino)ethyl]furan-2-carboxamide
CID 3155965

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)furan-2-carboxamide?
The IUPAC name of N-(5-bromopentyl)furan-2-carboxamide (CID 107322078) is N-(5-bromopentyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-bromopentyl)furan-2-carboxamide?
The canonical SMILES for N-(5-bromopentyl)furan-2-carboxamide is O=C(NCCCCCBr)c1ccco1.
What is the InChIKey of N-(5-bromopentyl)furan-2-carboxamide?
The InChIKey is ZYQIPZXYTGZZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c11-6-2-1-3-7-12-10(13)9-5-4-8-14-9/h4-5,8H,1-3,6-7H2,(H,12,13).
What are the key properties of N-(5-bromopentyl)furan-2-carboxamide?
N-(5-bromopentyl)furan-2-carboxamide has a molecular weight of 260.13 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)furan-2-carboxamide is sourced from PubChem (CID 107322078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).