1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide

C20H19F3N2O2 — CID 53159942

IUPAC1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide
SMILESCCC(=O)N1CCc2c(C(=O)NCc3cccc(C(F)(F)F)c3)cccc21
InChIInChI=1S/C20H19F3N2O2/c1-2-18(26)25-10-9-15-16(7-4-8-17(15)25)19(27)24-12-13-5-3-6-14(11-13)20(21,22)23/h3-8,11H,2,9-10,12H2,1H3,(H,24,27)
InChIKeyNVQAFYDSJLNNMB-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.93
Rot. Bonds4

About 1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide

1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 53159942) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide
PubChem CID53159942
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide
SMILESCCC(=O)N1CCc2c(C(=O)NCc3cccc(C(F)(F)F)c3)cccc21
InChIInChI=1S/C20H19F3N2O2/c1-2-18(26)25-10-9-15-16(7-4-8-17(15)25)19(27)24-12-13-5-3-6-14(11-13)20(21,22)23/h3-8,11H,2,9-10,12H2,1H3,(H,24,27)
InChIKeyNVQAFYDSJLNNMB-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159918
N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159955
N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159922
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 159159618
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 35151310
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111267082
1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
CID 53159994
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide (CID 53159942) is 1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide is CCC(=O)N1CCc2c(C(=O)NCc3cccc(C(F)(F)F)c3)cccc21.
What is the InChIKey of 1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is NVQAFYDSJLNNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-2-18(26)25-10-9-15-16(7-4-8-17(15)25)19(27)24-12-13-5-3-6-14(11-13)20(21,22)23/h3-8,11H,2,9-10,12H2,1H3,(H,24,27).
What are the key properties of 1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide?
1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 53159942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).