5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide

C15H15BrN2O3 — CID 7964359

IUPAC5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C15H15BrN2O3/c1-10(11-5-3-2-4-6-11)18-14(19)9-17-15(20)12-7-8-13(16)21-12/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)/t10-/m1/s1
InChIKeyKSFRTPMYZSUBOS-SNVBAGLBSA-N
MW351.20 g/mol
LogP2.65
Rot. Bonds5

About 5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide

5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide (PubChem CID 7964359) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
PubChem CID7964359
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C15H15BrN2O3/c1-10(11-5-3-2-4-6-11)18-14(19)9-17-15(20)12-7-8-13(16)21-12/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)/t10-/m1/s1
InChIKeyKSFRTPMYZSUBOS-SNVBAGLBSA-N
XLogP2.65
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 8936906
5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide
CID 41088369
5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
CID 26007657
5-bromo-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 65309872
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24635359
(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 107564357
5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide
CID 90499560
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide
CID 43011607

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide (CID 7964359) is 5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide is C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is KSFRTPMYZSUBOS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-10(11-5-3-2-4-6-11)18-14(19)9-17-15(20)12-7-8-13(16)21-12/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)/t10-/m1/s1.
What are the key properties of 5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.65, 5 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-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 7964359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).