N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide

C20H18F3NO3 — CID 135374002

IUPACN-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCOc2c1ccc(Oc1ccc(C(F)(F)F)cc1)c2C
InChIInChI=1S/C20H18F3NO3/c1-3-18(25)24-16-10-11-26-19-12(2)17(9-8-15(16)19)27-14-6-4-13(5-7-14)20(21,22)23/h3-9,16H,1,10-11H2,2H3,(H,24,25)
InChIKeyBDPUINNUKBELPL-UHFFFAOYSA-N
MW377.36 g/mol
LogP4.93
Rot. Bonds4

About N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide

N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide (PubChem CID 135374002) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide
PubChem CID135374002
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC NameN-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCOc2c1ccc(Oc1ccc(C(F)(F)F)cc1)c2C
InChIInChI=1S/C20H18F3NO3/c1-3-18(25)24-16-10-11-26-19-12(2)17(9-8-15(16)19)27-14-6-4-13(5-7-14)20(21,22)23/h3-9,16H,1,10-11H2,2H3,(H,24,25)
InChIKeyBDPUINNUKBELPL-UHFFFAOYSA-N
XLogP4.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-fluoro-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide
CID 135373717
N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide
CID 135373952
8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine
CID 135373989
8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one
CID 135373615
[(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea
CID 68988557
[8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid
CID 134348344
1-[5-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-3-yl]but-3-en-2-one
CID 147127027
N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide
CID 155344343
N-[3-[2-[(8-ethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421625
N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide
CID 129305263
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-sulfanylidenepyrrolidine-2-carboxamide
CID 166073849
N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide
CID 135302300

Frequently Asked Questions

What is the IUPAC name of N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide?
The IUPAC name of N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide (CID 135374002) is N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide.
What is the SMILES notation for N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide?
The canonical SMILES for N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide is C=CC(=O)NC1CCOc2c1ccc(Oc1ccc(C(F)(F)F)cc1)c2C.
What is the InChIKey of N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide?
The InChIKey is BDPUINNUKBELPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO3/c1-3-18(25)24-16-10-11-26-19-12(2)17(9-8-15(16)19)27-14-6-4-13(5-7-14)20(21,22)23/h3-9,16H,1,10-11H2,2H3,(H,24,25).
What are the key properties of N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide?
N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide has a molecular weight of 377.36 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide is sourced from PubChem (CID 135374002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).