N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide

C15H16BrNO2 — CID 114308477

IUPACN-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(Br)c2ccccc2)c(C)o1
InChIInChI=1S/C15H16BrNO2/c1-10-8-13(11(2)19-10)15(18)17-9-14(16)12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,17,18)
InChIKeyMRMPXDAOCQZGAD-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.76
Rot. Bonds4

About N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide

N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 114308477) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID114308477
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(Br)c2ccccc2)c(C)o1
InChIInChI=1S/C15H16BrNO2/c1-10-8-13(11(2)19-10)15(18)17-9-14(16)12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,17,18)
InChIKeyMRMPXDAOCQZGAD-UHFFFAOYSA-N
XLogP3.76
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.76
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-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 113271444
N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide
CID 113274151
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55883820
N-(2-bromo-2-phenylethyl)-2-methylbenzamide
CID 114308218
N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 90534310
N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
CID 114308285
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 111115593
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 32924591
2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
CID 114375751
N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
CID 114308255
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
CID 43461466

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide (CID 114308477) is N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(Br)c2ccccc2)c(C)o1.
What is the InChIKey of N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is MRMPXDAOCQZGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-8-13(11(2)19-10)15(18)17-9-14(16)12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide?
N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 3.76, 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)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 114308477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).