N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide

C13H18BrNO2 — CID 102872443

IUPACN-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCCBr)C2CCC2)co1
InChIInChI=1S/C13H18BrNO2/c1-10-8-11(9-17-10)13(16)15(7-3-6-14)12-4-2-5-12/h8-9,12H,2-7H2,1H3
InChIKeyLJQPZEYUEFCHHA-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.37
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide

N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide (PubChem CID 102872443) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
PubChem CID102872443
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCCBr)C2CCC2)co1
InChIInChI=1S/C13H18BrNO2/c1-10-8-11(9-17-10)13(16)15(7-3-6-14)12-4-2-5-12/h8-9,12H,2-7H2,1H3
InChIKeyLJQPZEYUEFCHHA-UHFFFAOYSA-N
XLogP3.37
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide
CID 114823139
N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102873978
N-cyclohexyl-N-(2-hydroxyethyl)-5-methylfuran-3-carboxamide
CID 114821743
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
CID 114820604
N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754316
N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide
CID 102922878
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102872269
3-bromo-N-(3-bromopropyl)-5-chloro-N-cyclobutylbenzamide
CID 107941502
N-(3-bromopropyl)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide
CID 102872297

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide (CID 102872443) is N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide is Cc1cc(C(=O)N(CCCBr)C2CCC2)co1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide?
The InChIKey is LJQPZEYUEFCHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-10-8-11(9-17-10)13(16)15(7-3-6-14)12-4-2-5-12/h8-9,12H,2-7H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide?
N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 3.37, 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-methylfuran-3-carboxamide is sourced from PubChem (CID 102872443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).