6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide

C21H20FNO5 — CID 35541197

IUPAC6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
SMILESCc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)o1
InChIInChI=1S/C21H20FNO5/c1-13-4-6-16(27-13)12-23(11-15-3-2-8-26-15)21(25)20-10-18(24)17-9-14(22)5-7-19(17)28-20/h4-7,9-10,15H,2-3,8,11-12H2,1H3/t15-/m0/s1
InChIKeyAIFBVOFLZDKUOU-HNNXBMFYSA-N
MW385.39 g/mol
LogP3.65
Rot. Bonds5

About 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide

6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide (PubChem CID 35541197) has the molecular formula C21H20FNO5 and a molecular weight of 385.39 g/mol. Its IUPAC name is 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
PubChem CID35541197
Molecular FormulaC21H20FNO5
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
SMILESCc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)o1
InChIInChI=1S/C21H20FNO5/c1-13-4-6-16(27-13)12-23(11-15-3-2-8-26-15)21(25)20-10-18(24)17-9-14(22)5-7-19(17)28-20/h4-7,9-10,15H,2-3,8,11-12H2,1H3/t15-/m0/s1
InChIKeyAIFBVOFLZDKUOU-HNNXBMFYSA-N
XLogP3.65
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-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-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
6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843506
6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541273
6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35338090
6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35344277
N-[(4-chlorophenyl)methyl]-6,7-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 40871229
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 5103992
4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35541317
5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 55391194
6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one
CID 159966896

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide (CID 35541197) is 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide is Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)o1.
What is the InChIKey of 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The InChIKey is AIFBVOFLZDKUOU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20FNO5/c1-13-4-6-16(27-13)12-23(11-15-3-2-8-26-15)21(25)20-10-18(24)17-9-14(22)5-7-19(17)28-20/h4-7,9-10,15H,2-3,8,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide?
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide is sourced from PubChem (CID 35541197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).