5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide

C12H15Br2NO2 — CID 106367301

IUPAC5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide
SMILESO=C(NC1CCCCC1CBr)c1ccc(Br)o1
InChIInChI=1S/C12H15Br2NO2/c13-7-8-3-1-2-4-9(8)15-12(16)10-5-6-11(14)17-10/h5-6,8-9H,1-4,7H2,(H,15,16)
InChIKeyYTDKGLORRAGOGN-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.73
Rot. Bonds3

About 5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide

5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide (PubChem CID 106367301) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide
PubChem CID106367301
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide
SMILESO=C(NC1CCCCC1CBr)c1ccc(Br)o1
InChIInChI=1S/C12H15Br2NO2/c13-7-8-3-1-2-4-9(8)15-12(16)10-5-6-11(14)17-10/h5-6,8-9H,1-4,7H2,(H,15,16)
InChIKeyYTDKGLORRAGOGN-UHFFFAOYSA-N
XLogP3.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-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-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
CID 93452199
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide
CID 130700415
N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
CID 106367080
5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7976083
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide
CID 106366425
N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
CID 106367322
5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide
CID 131142474
N-[2-(hydroxymethyl)cyclopentyl]-5-methylfuran-2-carboxamide
CID 103759065

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide (CID 106367301) is 5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide is O=C(NC1CCCCC1CBr)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide?
The InChIKey is YTDKGLORRAGOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c13-7-8-3-1-2-4-9(8)15-12(16)10-5-6-11(14)17-10/h5-6,8-9H,1-4,7H2,(H,15,16).
What are the key properties of 5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide?
5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide has a molecular weight of 365.07 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 106367301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).