N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C20H19F3N2O — CID 162687972

IUPACN-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESC=CC(=O)N(C)c1ccc2c(c1)CCC2Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O/c1-3-19(26)25(2)16-8-9-17-13(11-16)7-10-18(17)24-15-6-4-5-14(12-15)20(21,22)23/h3-6,8-9,11-12,18,24H,1,7,10H2,2H3
InChIKeyWKYDZNOBEAUFBJ-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.95
Rot. Bonds4

About N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 162687972) has the molecular formula C20H19F3N2O and a molecular weight of 360.38 g/mol. Its IUPAC name is N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
PubChem CID162687972
Molecular FormulaC20H19F3N2O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC NameN-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESC=CC(=O)N(C)c1ccc2c(c1)CCC2Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O/c1-3-19(26)25(2)16-8-9-17-13(11-16)7-10-18(17)24-15-6-4-5-14(12-15)20(21,22)23/h3-6,8-9,11-12,18,24H,1,7,10H2,2H3
InChIKeyWKYDZNOBEAUFBJ-UHFFFAOYSA-N
XLogP4.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687862
5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756
N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162688006
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 116530834
N-[2-hydroxy-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 175411837
N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63419222
N-[1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687923
N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide
CID 138037756
methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate
CID 107681939
1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine
CID 91360537
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The IUPAC name of N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 162687972) is N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is C=CC(=O)N(C)c1ccc2c(c1)CCC2Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The InChIKey is WKYDZNOBEAUFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O/c1-3-19(26)25(2)16-8-9-17-13(11-16)7-10-18(17)24-15-6-4-5-14(12-15)20(21,22)23/h3-6,8-9,11-12,18,24H,1,7,10H2,2H3.
What are the key properties of N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 360.38 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 162687972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).