5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide

C15H16BrNO2 — CID 26007657

IUPAC5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
SMILESCC[C@@H](CNC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C15H16BrNO2/c1-2-11(12-6-4-3-5-7-12)10-17-15(18)13-8-9-14(16)19-13/h3-9,11H,2,10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyNTDVXWVEPDSWCI-NSHDSACASA-N
MW322.20 g/mol
LogP3.97
Rot. Bonds5

About 5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide

5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide (PubChem CID 26007657) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
PubChem CID26007657
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
SMILESCC[C@@H](CNC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C15H16BrNO2/c1-2-11(12-6-4-3-5-7-12)10-17-15(18)13-8-9-14(16)19-13/h3-9,11H,2,10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyNTDVXWVEPDSWCI-NSHDSACASA-N
XLogP3.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide
CID 27862886
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
2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide
CID 43017681
5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide
CID 63524768
2-phenylbutylurea
CID 137320233
5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide
CID 90499560
2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide
CID 78807076
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide (CID 26007657) is 5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide is CC[C@@H](CNC(=O)c1ccc(Br)o1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide?
The InChIKey is NTDVXWVEPDSWCI-NSHDSACASA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-2-11(12-6-4-3-5-7-12)10-17-15(18)13-8-9-14(16)19-13/h3-9,11H,2,10H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide?
5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide is sourced from PubChem (CID 26007657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).