N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide

C23H23F3N2O3 — CID 118984628

IUPACN-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)NCC(c3cccc(C(F)(F)F)c3)N(C)C)cc(=O)c2c1
InChIInChI=1S/C23H23F3N2O3/c1-13-8-14(2)21-17(9-13)19(29)11-20(31-21)22(30)27-12-18(28(3)4)15-6-5-7-16(10-15)23(24,25)26/h5-11,18H,12H2,1-4H3,(H,27,30)
InChIKeyAVOBSAPQHIMKAG-UHFFFAOYSA-N
MW432.44 g/mol
LogP4.46
Rot. Bonds5

About N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide

N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 118984628) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
PubChem CID118984628
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC NameN-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)NCC(c3cccc(C(F)(F)F)c3)N(C)C)cc(=O)c2c1
InChIInChI=1S/C23H23F3N2O3/c1-13-8-14(2)21-17(9-13)19(29)11-20(31-21)22(30)27-12-18(28(3)4)15-6-5-7-16(10-15)23(24,25)26/h5-11,18H,12H2,1-4H3,(H,27,30)
InChIKeyAVOBSAPQHIMKAG-UHFFFAOYSA-N
XLogP4.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide (CID 118984628) is N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide is Cc1cc(C)c2oc(C(=O)NCC(c3cccc(C(F)(F)F)c3)N(C)C)cc(=O)c2c1.
What is the InChIKey of N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is AVOBSAPQHIMKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c1-13-8-14(2)21-17(9-13)19(29)11-20(31-21)22(30)27-12-18(28(3)4)15-6-5-7-16(10-15)23(24,25)26/h5-11,18H,12H2,1-4H3,(H,27,30).
What are the key properties of N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?
N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 118984628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).