2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide

C21H20F3N5O — CID 67175549

IUPAC2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(Nc1ccc2c(c1)CCC2)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C21H20F3N5O/c1-13(27-17-7-5-14-3-2-4-15(14)9-17)20(30)28-18-10-16(21(22,23)24)6-8-19(18)29-12-25-11-26-29/h5-13,27H,2-4H2,1H3,(H,28,30)
InChIKeyFLSXWOLHMJZPNR-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.21
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide

2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 67175549) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
PubChem CID67175549
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(Nc1ccc2c(c1)CCC2)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C21H20F3N5O/c1-13(27-17-7-5-14-3-2-4-15(14)9-17)20(30)28-18-10-16(21(22,23)24)6-8-19(18)29-12-25-11-26-29/h5-13,27H,2-4H2,1H3,(H,28,30)
InChIKeyFLSXWOLHMJZPNR-UHFFFAOYSA-N
XLogP4.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 8097905
N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 24686140
(E)-3-(2-fluorophenyl)-N-[(1S)-1-[3-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 10019891
2-{methyl[(naphthalen-2-yl)methyl]amino}-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 16316984
7-Methyl-4-(3-[1,2,4]triazol-1-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 18548737
2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 42913349
2-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 9504912
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8002554
3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 16291923
1-[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
CID 16292232
2-[2-(2-oxopyrrolidin-1-yl)anilino]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 16299494
2-cyclopentyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 25163223

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide (CID 67175549) is 2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide is CC(Nc1ccc2c(c1)CCC2)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FLSXWOLHMJZPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O/c1-13(27-17-7-5-14-3-2-4-15(14)9-17)20(30)28-18-10-16(21(22,23)24)6-8-19(18)29-12-25-11-26-29/h5-13,27H,2-4H2,1H3,(H,28,30).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 415.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 67175549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).