N-(3-bromobutyl)furan-3-carboxamide

C9H12BrNO2 — CID 114312390

IUPACN-(3-bromobutyl)furan-3-carboxamide
SMILESCC(Br)CCNC(=O)c1ccoc1
InChIInChI=1S/C9H12BrNO2/c1-7(10)2-4-11-9(12)8-3-5-13-6-8/h3,5-7H,2,4H2,1H3,(H,11,12)
InChIKeyGPCYXKAMBVWULK-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.18
Rot. Bonds4

About N-(3-bromobutyl)furan-3-carboxamide

N-(3-bromobutyl)furan-3-carboxamide (PubChem CID 114312390) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is N-(3-bromobutyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromobutyl)furan-3-carboxamide
PubChem CID114312390
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC NameN-(3-bromobutyl)furan-3-carboxamide
SMILESCC(Br)CCNC(=O)c1ccoc1
InChIInChI=1S/C9H12BrNO2/c1-7(10)2-4-11-9(12)8-3-5-13-6-8/h3,5-7H,2,4H2,1H3,(H,11,12)
InChIKeyGPCYXKAMBVWULK-UHFFFAOYSA-N
XLogP2.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromobutyl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4-methylpentyl)furan-3-carboxamide
CID 107157639
N-pentylfuran-3-carboxamide
CID 91139562
N-decylfuran-3-carboxamide
CID 117059205
N-[2-(methylamino)propyl]furan-3-carboxamide
CID 103512728
N-(4,4-dimethylpentyl)furan-3-carboxamide
CID 20774387
N-(4-hydroxy-2-methylpentyl)furan-3-carboxamide
CID 111447081
(2S)-2-[3-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 61136349
N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]furan-3-carboxamide
CID 91817579
N-(3-bromobutyl)-6-methylpyridine-3-carboxamide
CID 114312474
N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 46438456
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
N-(3-bromobutyl)-5-methylfuran-2-carboxamide
CID 114312376

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)furan-3-carboxamide?
The IUPAC name of N-(3-bromobutyl)furan-3-carboxamide (CID 114312390) is N-(3-bromobutyl)furan-3-carboxamide.
What is the SMILES notation for N-(3-bromobutyl)furan-3-carboxamide?
The canonical SMILES for N-(3-bromobutyl)furan-3-carboxamide is CC(Br)CCNC(=O)c1ccoc1.
What is the InChIKey of N-(3-bromobutyl)furan-3-carboxamide?
The InChIKey is GPCYXKAMBVWULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-7(10)2-4-11-9(12)8-3-5-13-6-8/h3,5-7H,2,4H2,1H3,(H,11,12).
What are the key properties of N-(3-bromobutyl)furan-3-carboxamide?
N-(3-bromobutyl)furan-3-carboxamide has a molecular weight of 246.10 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)furan-3-carboxamide is sourced from PubChem (CID 114312390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).