5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide

C15H22BrNO3 — CID 136526522

IUPAC5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NCCOC1CCCCCC1
InChIInChI=1S/C15H22BrNO3/c1-11-10-13(16)20-14(11)15(18)17-8-9-19-12-6-4-2-3-5-7-12/h10,12H,2-9H2,1H3,(H,17,18)
InChIKeyPVCCKULRUBAAHB-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.82
Rot. Bonds5

About 5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide

5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide (PubChem CID 136526522) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide
PubChem CID136526522
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NCCOC1CCCCCC1
InChIInChI=1S/C15H22BrNO3/c1-11-10-13(16)20-14(11)15(18)17-8-9-19-12-6-4-2-3-5-7-12/h10,12H,2-9H2,1H3,(H,17,18)
InChIKeyPVCCKULRUBAAHB-UHFFFAOYSA-N
XLogP3.82
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-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

5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide
CID 55774303
2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 86787888
3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
CID 103908078
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzamide
CID 63825291
5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296492
4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535
N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide
CID 119619721
2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide
CID 61150115
5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
CID 79987057
2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide
CID 113255607
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296491

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide (CID 136526522) is 5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide is Cc1cc(Br)oc1C(=O)NCCOC1CCCCCC1.
What is the InChIKey of 5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide?
The InChIKey is PVCCKULRUBAAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-11-10-13(16)20-14(11)15(18)17-8-9-19-12-6-4-2-3-5-7-12/h10,12H,2-9H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide?
5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 136526522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).