N-(4-bromobutyl)-3-methylfuran-2-carboxamide

C10H14BrNO2 — CID 106845761

IUPACN-(4-bromobutyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCCBr
InChIInChI=1S/C10H14BrNO2/c1-8-4-7-14-9(8)10(13)12-6-3-2-5-11/h4,7H,2-3,5-6H2,1H3,(H,12,13)
InChIKeyJRJOBCRZPYXEHM-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.49
Rot. Bonds5

About N-(4-bromobutyl)-3-methylfuran-2-carboxamide

N-(4-bromobutyl)-3-methylfuran-2-carboxamide (PubChem CID 106845761) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is N-(4-bromobutyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromobutyl)-3-methylfuran-2-carboxamide
PubChem CID106845761
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC NameN-(4-bromobutyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCCBr
InChIInChI=1S/C10H14BrNO2/c1-8-4-7-14-9(8)10(13)12-6-3-2-5-11/h4,7H,2-3,5-6H2,1H3,(H,12,13)
InChIKeyJRJOBCRZPYXEHM-UHFFFAOYSA-N
XLogP2.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
CID 106307161
N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119331995
3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
CID 111439289
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390
3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659000
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 120501389
5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid
CID 119186184
3-methyl-N-[3-(2-methylpropylsulfanyl)propyl]furan-2-carboxamide
CID 75390120
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
CID 104593838

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(4-bromobutyl)-3-methylfuran-2-carboxamide (CID 106845761) is N-(4-bromobutyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-bromobutyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-bromobutyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCCCCBr.
What is the InChIKey of N-(4-bromobutyl)-3-methylfuran-2-carboxamide?
The InChIKey is JRJOBCRZPYXEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-8-4-7-14-9(8)10(13)12-6-3-2-5-11/h4,7H,2-3,5-6H2,1H3,(H,12,13).
What are the key properties of N-(4-bromobutyl)-3-methylfuran-2-carboxamide?
N-(4-bromobutyl)-3-methylfuran-2-carboxamide has a molecular weight of 260.13 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 106845761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).