N-(2-bromo-4-methylpentyl)furan-3-carboxamide

C11H16BrNO2 — CID 107157639

IUPACN-(2-bromo-4-methylpentyl)furan-3-carboxamide
SMILESCC(C)CC(Br)CNC(=O)c1ccoc1
InChIInChI=1S/C11H16BrNO2/c1-8(2)5-10(12)6-13-11(14)9-3-4-15-7-9/h3-4,7-8,10H,5-6H2,1-2H3,(H,13,14)
InChIKeyXQGJOGZNGBCAFH-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.82
Rot. Bonds5

About N-(2-bromo-4-methylpentyl)furan-3-carboxamide

N-(2-bromo-4-methylpentyl)furan-3-carboxamide (PubChem CID 107157639) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(2-bromo-4-methylpentyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylpentyl)furan-3-carboxamide
PubChem CID107157639
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC NameN-(2-bromo-4-methylpentyl)furan-3-carboxamide
SMILESCC(C)CC(Br)CNC(=O)c1ccoc1
InChIInChI=1S/C11H16BrNO2/c1-8(2)5-10(12)6-13-11(14)9-3-4-15-7-9/h3-4,7-8,10H,5-6H2,1-2H3,(H,13,14)
InChIKeyXQGJOGZNGBCAFH-UHFFFAOYSA-N
XLogP2.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromo-4-methylpentyl)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-(4-hydroxy-2-methylpentyl)furan-3-carboxamide
CID 111447081
N-(2-bromo-4-methylpentyl)benzamide
CID 107157861
N-[2-(methylamino)propyl]furan-3-carboxamide
CID 103512728
N-(3-bromobutyl)furan-3-carboxamide
CID 114312390
N-(2-bromo-4-methylpentyl)-4-chlorobenzamide
CID 107157900
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-3-carboxamide
CID 76952612
N-(2-bromo-4-methylpentyl)-3-iodobenzamide
CID 107157571
3-bromo-N-(2-bromo-4-methylpentyl)-4-methylbenzamide
CID 107157706
3-(furan-3-carbonylamino)-2-phenylpropanoic acid
CID 62883834
N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride
CID 119587685
N-(2-anilino-3-methylbutyl)furan-3-carboxamide
CID 47142406
N-(2-cyclopropyl-2-hydroxyethyl)furan-3-carboxamide
CID 63294562

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylpentyl)furan-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylpentyl)furan-3-carboxamide (CID 107157639) is N-(2-bromo-4-methylpentyl)furan-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylpentyl)furan-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylpentyl)furan-3-carboxamide is CC(C)CC(Br)CNC(=O)c1ccoc1.
What is the InChIKey of N-(2-bromo-4-methylpentyl)furan-3-carboxamide?
The InChIKey is XQGJOGZNGBCAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-8(2)5-10(12)6-13-11(14)9-3-4-15-7-9/h3-4,7-8,10H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-bromo-4-methylpentyl)furan-3-carboxamide?
N-(2-bromo-4-methylpentyl)furan-3-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylpentyl)furan-3-carboxamide is sourced from PubChem (CID 107157639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).