3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

C18H17F3N2O — CID 109034854

IUPAC3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1CCc2ccccc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)14-6-2-3-7-15(14)22-17(24)10-12-23-11-9-13-5-1-4-8-16(13)23/h1-8H,9-12H2,(H,22,24)
InChIKeyHTNCGZWUTSTXSA-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.10
Rot. Bonds4

About 3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 109034854) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID109034854
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1CCc2ccccc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)14-6-2-3-7-15(14)22-17(24)10-12-23-11-9-13-5-1-4-8-16(13)23/h1-8H,9-12H2,(H,22,24)
InChIKeyHTNCGZWUTSTXSA-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)propanamide
CID 24588519
3-(2,3-dihydroindol-1-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109034849
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 109035071
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109029939
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2989364
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034835
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109035047
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034896
N-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034841
N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
CID 109012970

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 109034854) is 3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is O=C(CCN1CCc2ccccc21)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HTNCGZWUTSTXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-18(20,21)14-6-2-3-7-15(14)22-17(24)10-12-23-11-9-13-5-1-4-8-16(13)23/h1-8H,9-12H2,(H,22,24).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 334.34 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109034854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).