N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide

C21H16F3NO2 — CID 86294769

IUPACN-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CCc2ccc3ccccc3c2O1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)16-7-3-4-8-17(16)25-20(26)18-12-11-14-10-9-13-5-1-2-6-15(13)19(14)27-18/h1-10,18H,11-12H2,(H,25,26)
InChIKeyCEQBRDWDKFXCQK-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.19
Rot. Bonds2

About N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide

N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide (PubChem CID 86294769) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
PubChem CID86294769
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC NameN-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CCc2ccc3ccccc3c2O1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)16-7-3-4-8-17(16)25-20(26)18-12-11-14-10-9-13-5-1-2-6-15(13)19(14)27-18/h1-10,18H,11-12H2,(H,25,26)
InChIKeyCEQBRDWDKFXCQK-UHFFFAOYSA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide (CID 86294769) is N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide is O=C(Nc1ccccc1C(F)(F)F)C1CCc2ccc3ccccc3c2O1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
The InChIKey is CEQBRDWDKFXCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO2/c22-21(23,24)16-7-3-4-8-17(16)25-20(26)18-12-11-14-10-9-13-5-1-2-6-15(13)19(14)27-18/h1-10,18H,11-12H2,(H,25,26).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide is sourced from PubChem (CID 86294769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).