5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide

C17H20BrNO2 — CID 63524768

IUPAC5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide
SMILESCCC(CC)C(NC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C17H20BrNO2/c1-3-12(4-2)16(13-8-6-5-7-9-13)19-17(20)14-10-11-15(18)21-14/h5-12,16H,3-4H2,1-2H3,(H,19,20)
InChIKeyYHDPBLSBZGGLNN-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.95
Rot. Bonds6

About 5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide

5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide (PubChem CID 63524768) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide
PubChem CID63524768
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide
SMILESCCC(CC)C(NC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C17H20BrNO2/c1-3-12(4-2)16(13-8-6-5-7-9-13)19-17(20)14-10-11-15(18)21-14/h5-12,16H,3-4H2,1-2H3,(H,19,20)
InChIKeyYHDPBLSBZGGLNN-UHFFFAOYSA-N
XLogP4.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
CID 26007657
2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid
CID 16792434
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide
CID 27862886
5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 16603694
4-bromo-N-(2-ethyl-1-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 63524588
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine
CID 43734675
5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94216568
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide
CID 90499560

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide (CID 63524768) is 5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide is CCC(CC)C(NC(=O)c1ccc(Br)o1)c1ccccc1.
What is the InChIKey of 5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide?
The InChIKey is YHDPBLSBZGGLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-3-12(4-2)16(13-8-6-5-7-9-13)19-17(20)14-10-11-15(18)21-14/h5-12,16H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide?
5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide is sourced from PubChem (CID 63524768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).