benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate

C23H19FN2O2 — CID 134963239

IUPACbenzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate
SMILESO=C(N[C@@H](c1ccc(F)cc1)n1ccc2ccccc21)OCc1ccccc1
InChIInChI=1S/C23H19FN2O2/c24-20-12-10-19(11-13-20)22(26-15-14-18-8-4-5-9-21(18)26)25-23(27)28-16-17-6-2-1-3-7-17/h1-15,22H,16H2,(H,25,27)/t22-/m1/s1
InChIKeyQNNUTFAHUHFERE-JOCHJYFZSA-N
MW374.42 g/mol
LogP5.25
Rot. Bonds5

About benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate

benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate (PubChem CID 134963239) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate
PubChem CID134963239
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Namebenzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate
SMILESO=C(N[C@@H](c1ccc(F)cc1)n1ccc2ccccc21)OCc1ccccc1
InChIInChI=1S/C23H19FN2O2/c24-20-12-10-19(11-13-20)22(26-15-14-18-8-4-5-9-21(18)26)25-23(27)28-16-17-6-2-1-3-7-17/h1-15,22H,16H2,(H,25,27)/t22-/m1/s1
InChIKeyQNNUTFAHUHFERE-JOCHJYFZSA-N
XLogP5.25
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate
CID 134963247
benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate
CID 12000243
benzyl N-(1-amino-2,2,2-trifluoroethyl)carbamate
CID 45036579
benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 85273603
benzyl N-[(2S,3S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 7611849
(4-fluorophenyl) (2R,3S)-3-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 101057375
benzyl N-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]carbamate
CID 825900
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate
CID 58796860
(2S)-2-iodo-2-(phenylmethoxycarbonylamino)acetic acid
CID 126547050
benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 130581025
benzyl N-[3-(4-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 141026809

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate?
The IUPAC name of benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate (CID 134963239) is benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate.
What is the SMILES notation for benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate?
The canonical SMILES for benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate is O=C(N[C@@H](c1ccc(F)cc1)n1ccc2ccccc21)OCc1ccccc1.
What is the InChIKey of benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate?
The InChIKey is QNNUTFAHUHFERE-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H19FN2O2/c24-20-12-10-19(11-13-20)22(26-15-14-18-8-4-5-9-21(18)26)25-23(27)28-16-17-6-2-1-3-7-17/h1-15,22H,16H2,(H,25,27)/t22-/m1/s1.
What are the key properties of benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate?
benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate has a molecular weight of 374.42 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate is sourced from PubChem (CID 134963239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).