5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide

C23H24F3N3O3 — CID 89319607

IUPAC5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
SMILESNc1ccc2c(c1)cc(C(=O)NCC1(O)CCCC1)n2Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H24F3N3O3/c24-23(25,26)32-18-5-3-4-15(10-18)13-29-19-7-6-17(27)11-16(19)12-20(29)21(30)28-14-22(31)8-1-2-9-22/h3-7,10-12,31H,1-2,8-9,13-14,27H2,(H,28,30)
InChIKeyCZBGRDPGHBPPJG-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.21
Rot. Bonds6

About 5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide

5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide (PubChem CID 89319607) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
PubChem CID89319607
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
SMILESNc1ccc2c(c1)cc(C(=O)NCC1(O)CCCC1)n2Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H24F3N3O3/c24-23(25,26)32-18-5-3-4-15(10-18)13-29-19-7-6-17(27)11-16(19)12-20(29)21(30)28-14-22(31)8-1-2-9-22/h3-7,10-12,31H,1-2,8-9,13-14,27H2,(H,28,30)
InChIKeyCZBGRDPGHBPPJG-UHFFFAOYSA-N
XLogP4.21
TPSA89.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
CID 89319443
5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
CID 59205431
5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide
CID 42808866
N-[(1-hydroxycyclopentyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111331191
5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 42808752
5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 54425705
[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea
CID 75439246
5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide
CID 69130889
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
CID 141247478
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 103645114
1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 31841999

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide?
The IUPAC name of 5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide (CID 89319607) is 5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide?
The canonical SMILES for 5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide is Nc1ccc2c(c1)cc(C(=O)NCC1(O)CCCC1)n2Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide?
The InChIKey is CZBGRDPGHBPPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c24-23(25,26)32-18-5-3-4-15(10-18)13-29-19-7-6-17(27)11-16(19)12-20(29)21(30)28-14-22(31)8-1-2-9-22/h3-7,10-12,31H,1-2,8-9,13-14,27H2,(H,28,30).
What are the key properties of 5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide?
5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide is sourced from PubChem (CID 89319607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).