N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

C27H22ClNO7 — CID 91973175

IUPACN-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCOc1cc(C2c3c(c4ccccc4oc3=O)OC2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C27H22ClNO7/c1-32-19-12-14(13-20(33-2)24(19)34-3)21-22-23(17-6-4-5-7-18(17)35-27(22)31)36-25(21)26(30)29-16-10-8-15(28)9-11-16/h4-13,21,25H,1-3H3,(H,29,30)
InChIKeyIRYPOSLPNOFQCT-UHFFFAOYSA-N
MW507.93 g/mol
LogP5.00
Rot. Bonds6

About N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (PubChem CID 91973175) has the molecular formula C27H22ClNO7 and a molecular weight of 507.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
PubChem CID91973175
Molecular FormulaC27H22ClNO7
Molecular Weight507.93 g/mol
Exact Mass507.11
IUPAC NameN-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCOc1cc(C2c3c(c4ccccc4oc3=O)OC2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C27H22ClNO7/c1-32-19-12-14(13-20(33-2)24(19)34-3)21-22-23(17-6-4-5-7-18(17)35-27(22)31)36-25(21)26(30)29-16-10-8-15(28)9-11-16/h4-13,21,25H,1-3H3,(H,29,30)
InChIKeyIRYPOSLPNOFQCT-UHFFFAOYSA-N
XLogP5.00
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.93
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424428
(2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425099
(2S,3R)-3-(7-methoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425420
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423987
(2R,3R)-3-(3-hydroxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423917
3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 71826114
(2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424575
(2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425547
(2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424864
(2S,3S)-3-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424920
(2S,3S)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4-oxo-N-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 98085575
3-(4-hydroxy-3-methoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 71826456

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (CID 91973175) is N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is COc1cc(C2c3c(c4ccccc4oc3=O)OC2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The InChIKey is IRYPOSLPNOFQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClNO7/c1-32-19-12-14(13-20(33-2)24(19)34-3)21-22-23(17-6-4-5-7-18(17)35-27(22)31)36-25(21)26(30)29-16-10-8-15(28)9-11-16/h4-13,21,25H,1-3H3,(H,29,30).
What are the key properties of N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide has a molecular weight of 507.93 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 91973175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).