6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide

C21H20ClNO5 — CID 35338090

IUPAC6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
SMILESCc1cc2oc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc(=O)c2cc1Cl
InChIInChI=1S/C21H20ClNO5/c1-13-8-19-16(9-17(13)22)18(24)10-20(28-19)21(25)23(11-14-4-2-6-26-14)12-15-5-3-7-27-15/h2,4,6,8-10,15H,3,5,7,11-12H2,1H3/t15-/m0/s1
InChIKeyJMKSXPMSVCHUHW-HNNXBMFYSA-N
MW401.85 g/mol
LogP4.17
Rot. Bonds5

About 6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide

6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide (PubChem CID 35338090) has the molecular formula C21H20ClNO5 and a molecular weight of 401.85 g/mol. Its IUPAC name is 6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
PubChem CID35338090
Molecular FormulaC21H20ClNO5
Molecular Weight401.85 g/mol
Exact Mass401.10
IUPAC Name6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
SMILESCc1cc2oc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc(=O)c2cc1Cl
InChIInChI=1S/C21H20ClNO5/c1-13-8-19-16(9-17(13)22)18(24)10-20(28-19)21(25)23(11-14-4-2-6-26-14)12-15-5-3-7-27-15/h2,4,6,8-10,15H,3,5,7,11-12H2,1H3/t15-/m0/s1
InChIKeyJMKSXPMSVCHUHW-HNNXBMFYSA-N
XLogP4.17
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide with MolForge

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Related Compounds

6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541273
6-fluoro-N-(furan-2-ylmethyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541191
N-[(4-chlorophenyl)methyl]-6,7-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 40871229
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541197
6-chloro-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-7-methyl-4-oxochromene-2-carboxamide
CID 666906
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 3361350
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
N-(furan-2-ylmethyl)-3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide
CID 42664603
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-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
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The IUPAC name of 6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide (CID 35338090) is 6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide is Cc1cc2oc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The InChIKey is JMKSXPMSVCHUHW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20ClNO5/c1-13-8-19-16(9-17(13)22)18(24)10-20(28-19)21(25)23(11-14-4-2-6-26-14)12-15-5-3-7-27-15/h2,4,6,8-10,15H,3,5,7,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide?
6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide is sourced from PubChem (CID 35338090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).