N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C19H16F3NO3 — CID 162687895

IUPACN-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)CCC2Oc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H16F3NO3/c1-2-18(24)23-13-7-8-16-12(10-13)6-9-17(16)25-14-4-3-5-15(11-14)26-19(20,21)22/h2-5,7-8,10-11,17H,1,6,9H2,(H,23,24)
InChIKeyGIHFZHNUKVZHGG-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.78
Rot. Bonds5

About N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 162687895) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
PubChem CID162687895
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC NameN-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)CCC2Oc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H16F3NO3/c1-2-18(24)23-13-7-8-16-12(10-13)6-9-17(16)25-14-4-3-5-15(11-14)26-19(20,21)22/h2-5,7-8,10-11,17H,1,6,9H2,(H,23,24)
InChIKeyGIHFZHNUKVZHGG-UHFFFAOYSA-N
XLogP4.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687872
N-[(1R)-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687862
N-[3-(5,5,5-trifluoropentoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687901
N-[1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687923
N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 175411868
N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162688006
N-[3-[6-amino-2-[4-(trifluoromethoxy)anilino]purin-9-yl]phenyl]prop-2-enamide
CID 118421241
N-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 59174451
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
N-[2-hydroxy-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 175411837
4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 60848453

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The IUPAC name of N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 162687895) is N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The canonical SMILES for N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(c1)CCC2Oc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The InChIKey is GIHFZHNUKVZHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-2-18(24)23-13-7-8-16-12(10-13)6-9-17(16)25-14-4-3-5-15(11-14)26-19(20,21)22/h2-5,7-8,10-11,17H,1,6,9H2,(H,23,24).
What are the key properties of N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 363.34 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 162687895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).