6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide

C20H18BrNO5 — CID 35541273

IUPAC6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
SMILESO=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C20H18BrNO5/c21-13-5-6-18-16(9-13)17(23)10-19(27-18)20(24)22(11-14-3-1-7-25-14)12-15-4-2-8-26-15/h1,3,5-7,9-10,15H,2,4,8,11-12H2/t15-/m0/s1
InChIKeyXPPGKBVZYZHQIQ-HNNXBMFYSA-N
MW432.27 g/mol
LogP3.97
Rot. Bonds5

About 6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide

6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide (PubChem CID 35541273) has the molecular formula C20H18BrNO5 and a molecular weight of 432.27 g/mol. Its IUPAC name is 6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
PubChem CID35541273
Molecular FormulaC20H18BrNO5
Molecular Weight432.27 g/mol
Exact Mass431.04
IUPAC Name6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
SMILESO=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C20H18BrNO5/c21-13-5-6-18-16(9-13)17(23)10-19(27-18)20(24)22(11-14-3-1-7-25-14)12-15-4-2-8-26-15/h1,3,5-7,9-10,15H,2,4,8,11-12H2/t15-/m0/s1
InChIKeyXPPGKBVZYZHQIQ-HNNXBMFYSA-N
XLogP3.97
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide with MolForge

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Related Compounds

6-fluoro-N-(furan-2-ylmethyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541191
6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35338090
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541197
7-bromo-N-(naphthalen-1-ylmethyl)-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843453
6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843151
N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541235
3-(2,5-dibromophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577447
4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35541317
N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide
CID 35341214
6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35344277
6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843506
3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 5010207

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The IUPAC name of 6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide (CID 35541273) is 6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide is O=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1ccco1)C[C@@H]1CCCO1.
What is the InChIKey of 6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The InChIKey is XPPGKBVZYZHQIQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18BrNO5/c21-13-5-6-18-16(9-13)17(23)10-19(27-18)20(24)22(11-14-3-1-7-25-14)12-15-4-2-8-26-15/h1,3,5-7,9-10,15H,2,4,8,11-12H2/t15-/m0/s1.
What are the key properties of 6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide?
6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide has a molecular weight of 432.27 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide is sourced from PubChem (CID 35541273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).