5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide

C17H17BrN2O3 — CID 87021351

IUPAC5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)NC1CCc2ccccc21)C(=O)c1ccc(Br)o1
InChIInChI=1S/C17H17BrN2O3/c1-20(17(22)14-8-9-15(18)23-14)10-16(21)19-13-7-6-11-4-2-3-5-12(11)13/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,21)
InChIKeyVOIQAOHZTMZHER-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.92
Rot. Bonds4

About 5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide

5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 87021351) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID87021351
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)NC1CCc2ccccc21)C(=O)c1ccc(Br)o1
InChIInChI=1S/C17H17BrN2O3/c1-20(17(22)14-8-9-15(18)23-14)10-16(21)19-13-7-6-11-4-2-3-5-12(11)13/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,21)
InChIKeyVOIQAOHZTMZHER-UHFFFAOYSA-N
XLogP2.92
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9053146
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CID 8901359
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CID 8712235
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
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N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 119527431
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CID 7716881
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9103538
3-[(5-bromofuran-2-carbonyl)-methylamino]propanoic acid
CID 60989511
3-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]amino]-2-methylpropanoic acid
CID 119236875
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 86823045
(4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
CID 153328550

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 87021351) is 5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)NC1CCc2ccccc21)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is VOIQAOHZTMZHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-20(17(22)14-8-9-15(18)23-14)10-16(21)19-13-7-6-11-4-2-3-5-12(11)13/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,21).
What are the key properties of 5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 377.24 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 87021351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).