N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide

C24H20F3NO5 — CID 18188655

IUPACN-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(C2Oc3cccc(OC)c3-c3ccc(NC(=O)C(F)(F)F)cc32)cc1OC
InChIInChI=1S/C24H20F3NO5/c1-30-17-10-7-13(11-20(17)32-3)22-16-12-14(28-23(29)24(25,26)27)8-9-15(16)21-18(31-2)5-4-6-19(21)33-22/h4-12,22H,1-3H3,(H,28,29)
InChIKeyCUPUASQSUSUFSG-UHFFFAOYSA-N
MW459.42 g/mol
LogP5.36
Rot. Bonds5

About N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide

N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide (PubChem CID 18188655) has the molecular formula C24H20F3NO5 and a molecular weight of 459.42 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide
PubChem CID18188655
Molecular FormulaC24H20F3NO5
Molecular Weight459.42 g/mol
Exact Mass459.13
IUPAC NameN-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(C2Oc3cccc(OC)c3-c3ccc(NC(=O)C(F)(F)F)cc32)cc1OC
InChIInChI=1S/C24H20F3NO5/c1-30-17-10-7-13(11-20(17)32-3)22-16-12-14(28-23(29)24(25,26)27)8-9-15(16)21-18(31-2)5-4-6-19(21)33-22/h4-12,22H,1-3H3,(H,28,29)
InChIKeyCUPUASQSUSUFSG-UHFFFAOYSA-N
XLogP5.36
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 18189426
N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide
CID 10297219
N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10182964
N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10141103
2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
CID 70026381
1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine
CID 18189209
3-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 70026077
N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10138813
1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine
CID 70026573
N-(1-methoxy-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide
CID 10177943
2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide
CID 131964350
N-[6-[3-(4-cyanobutyl)phenyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10276481

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide (CID 18188655) is N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide is COc1ccc(C2Oc3cccc(OC)c3-c3ccc(NC(=O)C(F)(F)F)cc32)cc1OC.
What is the InChIKey of N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide?
The InChIKey is CUPUASQSUSUFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO5/c1-30-17-10-7-13(11-20(17)32-3)22-16-12-14(28-23(29)24(25,26)27)8-9-15(16)21-18(31-2)5-4-6-19(21)33-22/h4-12,22H,1-3H3,(H,28,29).
What are the key properties of N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide?
N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide has a molecular weight of 459.42 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 18188655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).