5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide

C17H19BrN2O3 — CID 27862886

IUPAC5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide
SMILESCC[C@H](CNC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C17H19BrN2O3/c1-2-12(13-6-4-3-5-7-13)10-19-16(21)11-20-17(22)14-8-9-15(18)23-14/h3-9,12H,2,10-11H2,1H3,(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyITLUNHBGHDPSMT-GFCCVEGCSA-N
MW379.25 g/mol
LogP3.08
Rot. Bonds7

About 5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide

5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide (PubChem CID 27862886) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide
PubChem CID27862886
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide
SMILESCC[C@H](CNC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C17H19BrN2O3/c1-2-12(13-6-4-3-5-7-13)10-19-16(21)11-20-17(22)14-8-9-15(18)23-14/h3-9,12H,2,10-11H2,1H3,(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyITLUNHBGHDPSMT-GFCCVEGCSA-N
XLogP3.08
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
CID 26007657
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
N-[2-oxo-2-(2-phenylbutylamino)ethyl]-2-phenylacetamide
CID 51252058
2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide
CID 43017681
2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide
CID 78807076
5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 8936906
3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide
CID 51213384
5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide
CID 43011607
5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide
CID 63524768
N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 55734307
(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 107564357

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide (CID 27862886) is 5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide is CC[C@H](CNC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is ITLUNHBGHDPSMT-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-2-12(13-6-4-3-5-7-13)10-19-16(21)11-20-17(22)14-8-9-15(18)23-14/h3-9,12H,2,10-11H2,1H3,(H,19,21)(H,20,22)/t12-/m1/s1.
What are the key properties of 5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 27862886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).