benzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate

C19H21F3N2O2 — CID 90210593

IUPACbenzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate
SMILESC[C@@H](CCCc1cc(C(F)(F)F)ccn1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21F3N2O2/c1-14(24-18(25)26-13-15-7-3-2-4-8-15)6-5-9-17-12-16(10-11-23-17)19(20,21)22/h2-4,7-8,10-12,14H,5-6,9,13H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeyRJALRHNIDGJNNJ-AWEZNQCLSA-N
MW366.38 g/mol
LogP4.74
Rot. Bonds7

About benzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate

benzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate (PubChem CID 90210593) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is benzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate
PubChem CID90210593
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Namebenzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate
SMILESC[C@@H](CCCc1cc(C(F)(F)F)ccn1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21F3N2O2/c1-14(24-18(25)26-13-15-7-3-2-4-8-15)6-5-9-17-12-16(10-11-23-17)19(20,21)22/h2-4,7-8,10-12,14H,5-6,9,13H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeyRJALRHNIDGJNNJ-AWEZNQCLSA-N
XLogP4.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate (CID 90210593) is benzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate is C[C@@H](CCCc1cc(C(F)(F)F)ccn1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate?
The InChIKey is RJALRHNIDGJNNJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-14(24-18(25)26-13-15-7-3-2-4-8-15)6-5-9-17-12-16(10-11-23-17)19(20,21)22/h2-4,7-8,10-12,14H,5-6,9,13H2,1H3,(H,24,25)/t14-/m0/s1.
What are the key properties of benzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate?
benzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate has a molecular weight of 366.38 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-5-[4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate is sourced from PubChem (CID 90210593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).