N-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C27H30F3NO2 — CID 25019311

IUPACN-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC3(CCc4ccccc43)CC2)cc1)C(F)(F)F
InChIInChI=1S/C27H30F3NO2/c1-25(33,27(28,29)30)20-8-6-19(7-9-20)24(32)31(21-10-11-21)22-13-16-26(17-14-22)15-12-18-4-2-3-5-23(18)26/h2-9,21-22,33H,10-17H2,1H3/t22?,25-,26?/m0/s1
InChIKeyJURCBBCQNPBSMT-FQHXLYSSSA-N
MW457.54 g/mol
LogP5.89
Rot. Bonds4

About N-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

N-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 25019311) has the molecular formula C27H30F3NO2 and a molecular weight of 457.54 g/mol. Its IUPAC name is N-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID25019311
Molecular FormulaC27H30F3NO2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC NameN-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC3(CCc4ccccc43)CC2)cc1)C(F)(F)F
InChIInChI=1S/C27H30F3NO2/c1-25(33,27(28,29)30)20-8-6-19(7-9-20)24(32)31(21-10-11-21)22-13-16-26(17-14-22)15-12-18-4-2-3-5-23(18)26/h2-9,21-22,33H,10-17H2,1H3/t22?,25-,26?/m0/s1
InChIKeyJURCBBCQNPBSMT-FQHXLYSSSA-N
XLogP5.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.54
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25016744
N-cyclopropyl-N-(4-cyclopropyl-4-hydroxycyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 67251749
N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 59030586
N-(4-cyano-4-phenylcyclohexyl)-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 56667194
N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 24859388
N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987480
[4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate
CID 75587228
N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25016746
N-cyclopropyl-N-[1-[1-(hydroxymethyl)cyclopropyl]piperidin-4-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 24859677
N-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25018786
N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 59031016
4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 24859815

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 25019311) is N-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC3(CCc4ccccc43)CC2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is JURCBBCQNPBSMT-FQHXLYSSSA-N. The full InChI is InChI=1S/C27H30F3NO2/c1-25(33,27(28,29)30)20-8-6-19(7-9-20)24(32)31(21-10-11-21)22-13-16-26(17-14-22)15-12-18-4-2-3-5-23(18)26/h2-9,21-22,33H,10-17H2,1H3/t22?,25-,26?/m0/s1.
What are the key properties of N-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 457.54 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 25019311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).