5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide

C17H20BrN3O3 — CID 8936906

IUPAC5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(C)C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C17H20BrN3O3/c1-21(2)11-13(12-6-4-3-5-7-12)20-16(22)10-19-17(23)14-8-9-15(18)24-14/h3-9,13H,10-11H2,1-2H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyHVWJETBJBOKBJO-CYBMUJFWSA-N
MW394.27 g/mol
LogP2.19
Rot. Bonds7

About 5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 8936906) has the molecular formula C17H20BrN3O3 and a molecular weight of 394.27 g/mol. Its IUPAC name is 5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID8936906
Molecular FormulaC17H20BrN3O3
Molecular Weight394.27 g/mol
Exact Mass393.07
IUPAC Name5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(C)C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C17H20BrN3O3/c1-21(2)11-13(12-6-4-3-5-7-12)20-16(22)10-19-17(23)14-8-9-15(18)24-14/h3-9,13H,10-11H2,1-2H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyHVWJETBJBOKBJO-CYBMUJFWSA-N
XLogP2.19
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

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-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide
CID 43011607
5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide
CID 27862886
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7703284
2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride
CID 119836132
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
4-bromo-N-[3-[[(1R)-2-(dimethylamino)-1-phenylethyl]amino]-3-oxopropyl]benzamide
CID 8937317
(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 107564357
5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide
CID 24504342
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-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 8936906) is 5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide is CN(C)C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is HVWJETBJBOKBJO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20BrN3O3/c1-21(2)11-13(12-6-4-3-5-7-12)20-16(22)10-19-17(23)14-8-9-15(18)24-14/h3-9,13H,10-11H2,1-2H3,(H,19,23)(H,20,22)/t13-/m1/s1.
What are the key properties of 5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 394.27 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 8936906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).