N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide

C14H14BrNO2 — CID 114311008

IUPACN-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC(CBr)c2ccccc2)o1
InChIInChI=1S/C14H14BrNO2/c1-10-7-8-13(18-10)14(17)16-12(9-15)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,16,17)
InChIKeyOEQBBRZVDLGYIK-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.45
Rot. Bonds4

About N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide

N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide (PubChem CID 114311008) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide
PubChem CID114311008
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC NameN-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC(CBr)c2ccccc2)o1
InChIInChI=1S/C14H14BrNO2/c1-10-7-8-13(18-10)14(17)16-12(9-15)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,16,17)
InChIKeyOEQBBRZVDLGYIK-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

5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 108804015
N-(2-bromo-1-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 114311175
methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 62111371
3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351348
N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide
CID 106184775
5-methyl-N-[(S)-phenyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 25437940
N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673091
N-(2-bromo-1-phenylethyl)-3-chloro-4-methylbenzamide
CID 114311152
N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113272304
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide (CID 114311008) is N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC(CBr)c2ccccc2)o1.
What is the InChIKey of N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide?
The InChIKey is OEQBBRZVDLGYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-7-8-13(18-10)14(17)16-12(9-15)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide?
N-(2-bromo-1-phenylethyl)-5-methylfuran-2-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-1-phenylethyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 114311008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).