9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate

C26H23FN2O2 — CID 168915644

IUPAC9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate
SMILESCC(Cc1c[nH]c2c(F)cccc12)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23FN2O2/c1-16(13-17-14-28-25-18(17)11-6-12-24(25)27)29-26(30)31-15-23-21-9-4-2-7-19(21)20-8-3-5-10-22(20)23/h2-12,14,16,23,28H,13,15H2,1H3,(H,29,30)
InChIKeyGKSBWYAFQMHKAR-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.78
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate (PubChem CID 168915644) has the molecular formula C26H23FN2O2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate
PubChem CID168915644
Molecular FormulaC26H23FN2O2
Molecular Weight414.48 g/mol
Exact Mass414.17
IUPAC Name9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate
SMILESCC(Cc1c[nH]c2c(F)cccc12)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23FN2O2/c1-16(13-17-14-28-25-18(17)11-6-12-24(25)27)29-26(30)31-15-23-21-9-4-2-7-19(21)20-8-3-5-10-22(20)23/h2-12,14,16,23,28H,13,15H2,1H3,(H,29,30)
InChIKeyGKSBWYAFQMHKAR-UHFFFAOYSA-N
XLogP5.78
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid
CID 168915643
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(7-propan-2-yl-1H-indol-3-yl)propanoate
CID 166499454
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(7-propan-2-yl-1H-indol-3-yl)propanoic acid
CID 155764199
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(7-phenyl-1H-indol-3-yl)propanoic acid
CID 155905739
(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
CID 11006463
9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate
CID 172798108
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
CID 131873978
9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 71024265
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
CID 20732098
9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate (CID 168915644) is 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate is CC(Cc1c[nH]c2c(F)cccc12)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate?
The InChIKey is GKSBWYAFQMHKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2/c1-16(13-17-14-28-25-18(17)11-6-12-24(25)27)29-26(30)31-15-23-21-9-4-2-7-19(21)20-8-3-5-10-22(20)23/h2-12,14,16,23,28H,13,15H2,1H3,(H,29,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate has a molecular weight of 414.48 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 168915644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).