2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide

C25H22ClNO6 — CID 21001500

IUPAC2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Oc2c(-c3ccco3)oc3cc(C)c(Cl)cc3c2=O)cc1
InChIInChI=1S/C25H22ClNO6/c1-4-30-17-9-7-16(8-10-17)27-25(29)15(3)32-24-22(28)18-13-19(26)14(2)12-21(18)33-23(24)20-6-5-11-31-20/h5-13,15H,4H2,1-3H3,(H,27,29)
InChIKeyTUXORDNROCHIDW-UHFFFAOYSA-N
MW467.91 g/mol
LogP5.82
Rot. Bonds7

About 2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide

2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide (PubChem CID 21001500) has the molecular formula C25H22ClNO6 and a molecular weight of 467.91 g/mol. Its IUPAC name is 2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide
PubChem CID21001500
Molecular FormulaC25H22ClNO6
Molecular Weight467.91 g/mol
Exact Mass467.11
IUPAC Name2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Oc2c(-c3ccco3)oc3cc(C)c(Cl)cc3c2=O)cc1
InChIInChI=1S/C25H22ClNO6/c1-4-30-17-9-7-16(8-10-17)27-25(29)15(3)32-24-22(28)18-13-19(26)14(2)12-21(18)33-23(24)20-6-5-11-31-20/h5-13,15H,4H2,1-3H3,(H,27,29)
InChIKeyTUXORDNROCHIDW-UHFFFAOYSA-N
XLogP5.82
TPSA90.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.91
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one
CID 7747752
ethyl 4-[2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoylamino]benzoate
CID 46303511
methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate
CID 7742903
2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide
CID 21001305
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742889
ethyl (2S)-2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate
CID 7747648
ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 3374835
N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide
CID 46303519
(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 7747167
2-[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2-chlorophenyl)propanamide
CID 21001457
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] acetate
CID 7742841
3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 7742926

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide (CID 21001500) is 2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)C(C)Oc2c(-c3ccco3)oc3cc(C)c(Cl)cc3c2=O)cc1.
What is the InChIKey of 2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide?
The InChIKey is TUXORDNROCHIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO6/c1-4-30-17-9-7-16(8-10-17)27-25(29)15(3)32-24-22(28)18-13-19(26)14(2)12-21(18)33-23(24)20-6-5-11-31-20/h5-13,15H,4H2,1-3H3,(H,27,29).
What are the key properties of 2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide?
2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide has a molecular weight of 467.91 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 21001500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).