N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide

C17H16F3NO5 — CID 19824178

IUPACN-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide
SMILESCC1(C)Oc2ccc(OC(F)(F)F)cc2C(NC(=O)c2ccco2)C1O
InChIInChI=1S/C17H16F3NO5/c1-16(2)14(22)13(21-15(23)12-4-3-7-24-12)10-8-9(25-17(18,19)20)5-6-11(10)26-16/h3-8,13-14,22H,1-2H3,(H,21,23)
InChIKeyGQDPXNCFRBOVEK-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.18
Rot. Bonds3

About N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide

N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide (PubChem CID 19824178) has the molecular formula C17H16F3NO5 and a molecular weight of 371.31 g/mol. Its IUPAC name is N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide
PubChem CID19824178
Molecular FormulaC17H16F3NO5
Molecular Weight371.31 g/mol
Exact Mass371.10
IUPAC NameN-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide
SMILESCC1(C)Oc2ccc(OC(F)(F)F)cc2C(NC(=O)c2ccco2)C1O
InChIInChI=1S/C17H16F3NO5/c1-16(2)14(22)13(21-15(23)12-4-3-7-24-12)10-8-9(25-17(18,19)20)5-6-11(10)26-16/h3-8,13-14,22H,1-2H3,(H,21,23)
InChIKeyGQDPXNCFRBOVEK-UHFFFAOYSA-N
XLogP3.18
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene
CID 14857401
N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-fluorobenzamide
CID 70105277
N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 42558547
N-[(3S,4R)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]thiophene-2-carboxamide
CID 70171989
2-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 19789881
(furan-2-carbonylamino) 2,2,2-trifluoroacetate
CID 141040971
N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide
CID 55671808
N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide
CID 21204899
N-[3-hydroxy-2,2-dimethyl-6-(4,4,4-trifluorobutoxy)-3,4-dihydrochromen-4-yl]butane-1-sulfonamide
CID 57112800
2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide
CID 71245391
N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-nitrobenzamide
CID 67556249
(2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid
CID 11515670

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide?
The IUPAC name of N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide (CID 19824178) is N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide is CC1(C)Oc2ccc(OC(F)(F)F)cc2C(NC(=O)c2ccco2)C1O.
What is the InChIKey of N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide?
The InChIKey is GQDPXNCFRBOVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO5/c1-16(2)14(22)13(21-15(23)12-4-3-7-24-12)10-8-9(25-17(18,19)20)5-6-11(10)26-16/h3-8,13-14,22H,1-2H3,(H,21,23).
What are the key properties of N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide?
N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide has a molecular weight of 371.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19824178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).