N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide

C17H20BrNO2 — CID 102872366

IUPACN-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(CCCBr)C3CCC3)cc2c1
InChIInChI=1S/C17H20BrNO2/c1-12-6-7-15-13(10-12)11-16(21-15)17(20)19(9-3-8-18)14-4-2-5-14/h6-7,10-11,14H,2-5,8-9H2,1H3
InChIKeyRNZNVLPCZLYMAC-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.52
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide

N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 102872366) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide
PubChem CID102872366
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(CCCBr)C3CCC3)cc2c1
InChIInChI=1S/C17H20BrNO2/c1-12-6-7-15-13(10-12)11-16(21-15)17(20)19(9-3-8-18)14-4-2-5-14/h6-7,10-11,14H,2-5,8-9H2,1H3
InChIKeyRNZNVLPCZLYMAC-UHFFFAOYSA-N
XLogP4.52
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-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-cyclobutyl-N-(2-hydroxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 102684442
N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 63753713
N-cyclobutyl-N-(3-hydroxypropyl)-1-benzofuran-2-carboxamide
CID 102866226
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 55928942
N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide
CID 106307633
N-(2-chloroethyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 63391619
N-(2-aminoethyl)-N-cyclopentyl-1-benzofuran-2-carboxamide
CID 63754807
N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102872443
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 106607339
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide (CID 102872366) is N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)N(CCCBr)C3CCC3)cc2c1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is RNZNVLPCZLYMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-12-6-7-15-13(10-12)11-16(21-15)17(20)19(9-3-8-18)14-4-2-5-14/h6-7,10-11,14H,2-5,8-9H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide?
N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 102872366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).