benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate

C23H19FN2O2 — CID 71746186

IUPACbenzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate
SMILESO=C(NC(c1ccccc1)c1c[nH]c2cc(F)ccc12)OCc1ccccc1
InChIInChI=1S/C23H19FN2O2/c24-18-11-12-19-20(14-25-21(19)13-18)22(17-9-5-2-6-10-17)26-23(27)28-15-16-7-3-1-4-8-16/h1-14,22,25H,15H2,(H,26,27)
InChIKeyLNFOHHUHVOHSME-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.32
Rot. Bonds5

About benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate

benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate (PubChem CID 71746186) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate
PubChem CID71746186
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Namebenzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate
SMILESO=C(NC(c1ccccc1)c1c[nH]c2cc(F)ccc12)OCc1ccccc1
InChIInChI=1S/C23H19FN2O2/c24-18-11-12-19-20(14-25-21(19)13-18)22(17-9-5-2-6-10-17)26-23(27)28-15-16-7-3-1-4-8-16/h1-14,22,25H,15H2,(H,26,27)
InChIKeyLNFOHHUHVOHSME-UHFFFAOYSA-N
XLogP5.32
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309421
benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate
CID 71745835
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 94021235
benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate
CID 71745838
(2R)-2-(6-bromo-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 101100300
(3R)-3-(1H-indol-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 34177615
benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 130581025
benzyl N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate
CID 71746013
benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
CID 59985516
benzyl N-[1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
CID 20758955
tert-butyl 2-[(1S)-1-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)ethyl]-4-oxopyrrolidine-1-carboxylate
CID 67407376
2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
CID 113209373

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate?
The IUPAC name of benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate (CID 71746186) is benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate.
What is the SMILES notation for benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate?
The canonical SMILES for benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate is O=C(NC(c1ccccc1)c1c[nH]c2cc(F)ccc12)OCc1ccccc1.
What is the InChIKey of benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate?
The InChIKey is LNFOHHUHVOHSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c24-18-11-12-19-20(14-25-21(19)13-18)22(17-9-5-2-6-10-17)26-23(27)28-15-16-7-3-1-4-8-16/h1-14,22,25H,15H2,(H,26,27).
What are the key properties of benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate?
benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate has a molecular weight of 374.42 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate is sourced from PubChem (CID 71746186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).