methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate

C26H18F3NO7 — CID 150470641

IUPACmethyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cc(-c3cccc(OC(F)(F)F)c3)cc(NC(=O)c3ccc(OC)cc3)c2o1
InChIInChI=1S/C26H18F3NO7/c1-34-17-8-6-14(7-9-17)24(32)30-20-12-16(15-4-3-5-18(10-15)37-26(27,28)29)11-19-21(31)13-22(25(33)35-2)36-23(19)20/h3-13H,1-2H3,(H,30,32)
InChIKeyHRSLVWXKFPAMOF-UHFFFAOYSA-N
MW513.42 g/mol
LogP5.41
Rot. Bonds6

About methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate

methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate (PubChem CID 150470641) has the molecular formula C26H18F3NO7 and a molecular weight of 513.42 g/mol. Its IUPAC name is methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate
PubChem CID150470641
Molecular FormulaC26H18F3NO7
Molecular Weight513.42 g/mol
Exact Mass513.10
IUPAC Namemethyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cc(-c3cccc(OC(F)(F)F)c3)cc(NC(=O)c3ccc(OC)cc3)c2o1
InChIInChI=1S/C26H18F3NO7/c1-34-17-8-6-14(7-9-17)24(32)30-20-12-16(15-4-3-5-18(10-15)37-26(27,28)29)11-19-21(31)13-22(25(33)35-2)36-23(19)20/h3-13H,1-2H3,(H,30,32)
InChIKeyHRSLVWXKFPAMOF-UHFFFAOYSA-N
XLogP5.41
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.42
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate with MolForge

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Related Compounds

8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid
CID 142544343
methyl 8-[(4-hexoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926774
methyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 10116174
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
methyl 3-fluoro-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 75488260
tert-butyl 8-[(4-heptoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926792
pentyl 8-[(4-octoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926778
butyl 8-[(4-heptoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926806
N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 42803007
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 4963798
tert-butyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 139926708
N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 55905383

Frequently Asked Questions

What is the IUPAC name of methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate?
The IUPAC name of methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate (CID 150470641) is methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate.
What is the SMILES notation for methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate?
The canonical SMILES for methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate is COC(=O)c1cc(=O)c2cc(-c3cccc(OC(F)(F)F)c3)cc(NC(=O)c3ccc(OC)cc3)c2o1.
What is the InChIKey of methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate?
The InChIKey is HRSLVWXKFPAMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3NO7/c1-34-17-8-6-14(7-9-17)24(32)30-20-12-16(15-4-3-5-18(10-15)37-26(27,28)29)11-19-21(31)13-22(25(33)35-2)36-23(19)20/h3-13H,1-2H3,(H,30,32).
What are the key properties of methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate?
methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate has a molecular weight of 513.42 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate is sourced from PubChem (CID 150470641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).