N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide

C14H14BrNO2 — CID 113274151

IUPACN-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(Br)c1ccccc1
InChIInChI=1S/C14H14BrNO2/c1-10-12(7-8-18-10)14(17)16-9-13(15)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H,16,17)
InChIKeyXHCOZQMLXLUPSR-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.45
Rot. Bonds4

About N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide

N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide (PubChem CID 113274151) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide
PubChem CID113274151
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC NameN-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(Br)c1ccccc1
InChIInChI=1S/C14H14BrNO2/c1-10-12(7-8-18-10)14(17)16-9-13(15)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H,16,17)
InChIKeyXHCOZQMLXLUPSR-UHFFFAOYSA-N
XLogP3.45
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-diphenylethyl)-2-methylfuran-3-carboxamide
CID 78808962
N-(2-bromo-2-phenylethyl)-2-methylbenzamide
CID 114308218
N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 114308477
N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
CID 114308285
N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
CID 114308255
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
CID 110888799
N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide
CID 124504826
N-(2-bromo-2-phenylethyl)-2-nitrobenzamide
CID 114308249
2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
CID 114375751
5-methyl-3-[[(2-methylfuran-3-carbonyl)amino]methyl]hexanoic acid
CID 65494748
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylfuran-3-carboxamide
CID 111423746
N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide
CID 107691090

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide (CID 113274151) is N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC(Br)c1ccccc1.
What is the InChIKey of N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide?
The InChIKey is XHCOZQMLXLUPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-12(7-8-18-10)14(17)16-9-13(15)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide?
N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 113274151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).