tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate

C22H26FNO2 — CID 139710565

IUPACtert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1Cc2ccccc2[C@H]1Cc1ccc(CF)cc1
InChIInChI=1S/C22H26FNO2/c1-22(2,3)26-21(25)24-20-13-17-6-4-5-7-18(17)19(20)12-15-8-10-16(14-23)11-9-15/h4-11,19-20H,12-14H2,1-3H3,(H,24,25)/t19-,20+/m1/s1
InChIKeyAACSZOLPBDEWQJ-UXHICEINSA-N
MW355.45 g/mol
LogP4.93
Rot. Bonds4

About tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate

tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate (PubChem CID 139710565) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate
PubChem CID139710565
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Nametert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1Cc2ccccc2[C@H]1Cc1ccc(CF)cc1
InChIInChI=1S/C22H26FNO2/c1-22(2,3)26-21(25)24-20-13-17-6-4-5-7-18(17)19(20)12-15-8-10-16(14-23)11-9-15/h4-11,19-20H,12-14H2,1-3H3,(H,24,25)/t19-,20+/m1/s1
InChIKeyAACSZOLPBDEWQJ-UXHICEINSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]carbamate hydrochloride
CID 137963950
tert-butyl N-{1,3-dihydrospiro[indene-2,4'-piperidin]-3-yl}carbamate hydrochloride
CID 154577396
tert-butyl ((1S,2R,3S,4S)-4-methyl-2-(p-tolyl)-3-(trifluoromethyl)cyclopentyl)carbamate
CID 145453092
Tert-butyl 1-(3,5-difluorophenyl)-1-phenylpropan-2-yl)carbamate
CID 171661701
Tert-butyl 3-(3,5-difluorophenyl)bicyclo[2.2.1]heptan-2-yl)carbamate
CID 171661743
tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 68618459
tert-butyl N-(2-fluoro-2-phenylcyclohexyl)carbamate
CID 12739505
tert-butyl N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]carbamate
CID 18619742
tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]propyl]carbamate
CID 21893566
1-(R)-((t-Butoxycarbonyl)amino)-3-(S)-((4-(3-(4-fluorophenyl)prop-1-yl)piperidin-1-yl)methyl)-4-(S)-phenylcyclopentane
CID 22982660
1-(S)-(N-(t-butoxycarbonyl)amino)-3-(S)-((4-(3-(4-fluorophenyl)prop-1-yl)piperidin-1-yl)methyl)-4-(S)-phenylcyclopentane
CID 22982674
Tert-butyl 3-amino-6-fluoro-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 49760926

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate (CID 139710565) is tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2[C@H]1Cc1ccc(CF)cc1.
What is the InChIKey of tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate?
The InChIKey is AACSZOLPBDEWQJ-UXHICEINSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-22(2,3)26-21(25)24-20-13-17-6-4-5-7-18(17)19(20)12-15-8-10-16(14-23)11-9-15/h4-11,19-20H,12-14H2,1-3H3,(H,24,25)/t19-,20+/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate?
tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate has a molecular weight of 355.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-1-[[4-(fluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate is sourced from PubChem (CID 139710565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).