1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide

C27H27FN2O2 — CID 145094186

IUPAC1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide
SMILESCC(NC(=O)c1cccc2c1N(Cc1ccc(F)cc1)CC21CC1)c1ccc(CO)cc1
InChIInChI=1S/C27H27FN2O2/c1-18(21-9-5-20(16-31)6-10-21)29-26(32)23-3-2-4-24-25(23)30(17-27(24)13-14-27)15-19-7-11-22(28)12-8-19/h2-12,18,31H,13-17H2,1H3,(H,29,32)
InChIKeyIGLUEOXJINBDFS-UHFFFAOYSA-N
MW430.52 g/mol
LogP4.86
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide

1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide (PubChem CID 145094186) has the molecular formula C27H27FN2O2 and a molecular weight of 430.52 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide
PubChem CID145094186
Molecular FormulaC27H27FN2O2
Molecular Weight430.52 g/mol
Exact Mass430.21
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide
SMILESCC(NC(=O)c1cccc2c1N(Cc1ccc(F)cc1)CC21CC1)c1ccc(CO)cc1
InChIInChI=1S/C27H27FN2O2/c1-18(21-9-5-20(16-31)6-10-21)29-26(32)23-3-2-4-24-25(23)30(17-27(24)13-14-27)15-19-7-11-22(28)12-8-19/h2-12,18,31H,13-17H2,1H3,(H,29,32)
InChIKeyIGLUEOXJINBDFS-UHFFFAOYSA-N
XLogP4.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide with MolForge

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Related Compounds

methyl 4-[(1S)-1-[[1-[[4-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-oxane]-7-carbonyl]amino]ethyl]benzoate
CID 121383722
3-[1-[[1-[[4-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopropane]-7-carbonyl]amino]ethyl]-1,2-dihydropyridine-6-carboxylic acid
CID 145094202
1-(4-fluorophenyl)sulfinyl-N-[1-[4-(1-hydroxyethenyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide
CID 145094146
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 53279578
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide
CID 62660456
N-[1-(4-acetylphenyl)cyclopropyl]-1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide
CID 145094115
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 94024334
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 94019464
4-[1-[[1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-7-carbonyl]amino]ethyl]benzoic acid
CID 70903595
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide (CID 145094186) is 1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide is CC(NC(=O)c1cccc2c1N(Cc1ccc(F)cc1)CC21CC1)c1ccc(CO)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide?
The InChIKey is IGLUEOXJINBDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O2/c1-18(21-9-5-20(16-31)6-10-21)29-26(32)23-3-2-4-24-25(23)30(17-27(24)13-14-27)15-19-7-11-22(28)12-8-19/h2-12,18,31H,13-17H2,1H3,(H,29,32).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[1-[4-(hydroxymethyl)phenyl]ethyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxamide is sourced from PubChem (CID 145094186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).