cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate

C19H22F4N2O2 — CID 155699189

IUPACcyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
SMILESO=C(OC1CC1)N(C[C@@H]1CCCN1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H22F4N2O2/c20-16-6-3-12(10-15(16)19(21,22)23)18(7-8-18)25(11-13-2-1-9-24-13)17(26)27-14-4-5-14/h3,6,10,13-14,24H,1-2,4-5,7-9,11H2/t13-/m0/s1
InChIKeyUFUVPCKLOHOTBZ-ZDUSSCGKSA-N
MW386.39 g/mol
LogP4.19
Rot. Bonds5

About cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate

cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate (PubChem CID 155699189) has the molecular formula C19H22F4N2O2 and a molecular weight of 386.39 g/mol. Its IUPAC name is cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namecyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
PubChem CID155699189
Molecular FormulaC19H22F4N2O2
Molecular Weight386.39 g/mol
Exact Mass386.16
IUPAC Namecyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
SMILESO=C(OC1CC1)N(C[C@@H]1CCCN1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H22F4N2O2/c20-16-6-3-12(10-15(16)19(21,22)23)18(7-8-18)25(11-13-2-1-9-24-13)17(26)27-14-4-5-14/h3,6,10,13-14,24H,1-2,4-5,7-9,11H2/t13-/m0/s1
InChIKeyUFUVPCKLOHOTBZ-ZDUSSCGKSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate with MolForge

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Related Compounds

methyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 163218541
2-[[cyclopropyloxycarbonyl-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 155146299
N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 155146240
(2S)-2-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-propan-2-yloxycarbonylamino]methyl]pyrrolidine-1-carboxylic acid
CID 155146624
ethyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate
CID 155699138
(3R)-3-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-methoxycarbonylamino]methyl]morpholine-4-carboxylic acid
CID 155146211
4-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 104955156
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622812
4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 107287038
N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 89362918
cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate
CID 63839194
N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 106599276

Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate?
The IUPAC name of cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate (CID 155699189) is cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate.
What is the SMILES notation for cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate?
The canonical SMILES for cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate is O=C(OC1CC1)N(C[C@@H]1CCCN1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate?
The InChIKey is UFUVPCKLOHOTBZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22F4N2O2/c20-16-6-3-12(10-15(16)19(21,22)23)18(7-8-18)25(11-13-2-1-9-24-13)17(26)27-14-4-5-14/h3,6,10,13-14,24H,1-2,4-5,7-9,11H2/t13-/m0/s1.
What are the key properties of cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate?
cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate has a molecular weight of 386.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 155699189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).