N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide

C16H17F7N2O2 — CID 86966966

IUPACN-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC(COc1ccc(F)cc1)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C16H17F7N2O2/c1-10(8-27-12-4-2-11(17)3-5-12)24-13(26)25-7-6-14(9-25,15(18,19)20)16(21,22)23/h2-5,10H,6-9H2,1H3,(H,24,26)
InChIKeyFGVGZEZGHVKQAF-UHFFFAOYSA-N
MW402.31 g/mol
LogP4.12
Rot. Bonds4

About N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide

N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 86966966) has the molecular formula C16H17F7N2O2 and a molecular weight of 402.31 g/mol. Its IUPAC name is N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID86966966
Molecular FormulaC16H17F7N2O2
Molecular Weight402.31 g/mol
Exact Mass402.12
IUPAC NameN-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC(COc1ccc(F)cc1)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C16H17F7N2O2/c1-10(8-27-12-4-2-11(17)3-5-12)24-13(26)25-7-6-14(9-25,15(18,19)20)16(21,22)23/h2-5,10H,6-9H2,1H3,(H,24,26)
InChIKeyFGVGZEZGHVKQAF-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 75441282
N-[1-(4-fluorophenoxy)propan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110907559
(5R)-N-[(2R)-1-(4-fluorophenoxy)propan-2-yl]-5-methyl-1,4-oxazepane-4-carboxamide
CID 97128552
3,3-bis(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 86966903
1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea
CID 86826887
1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea
CID 60554656
1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 51096030
3-hydroxy-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]piperidine-1-carboxamide
CID 110904080
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 60580560
1-[[1-(4-fluorophenyl)-2-methoxyethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 154782276
3-[(2S)-1-(4-fluorophenoxy)propan-2-yl]-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 52732451
1-(2-tert-butylsulfanylethyl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea
CID 86884516

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide (CID 86966966) is N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide is CC(COc1ccc(F)cc1)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1.
What is the InChIKey of N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is FGVGZEZGHVKQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F7N2O2/c1-10(8-27-12-4-2-11(17)3-5-12)24-13(26)25-7-6-14(9-25,15(18,19)20)16(21,22)23/h2-5,10H,6-9H2,1H3,(H,24,26).
What are the key properties of N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide?
N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 402.31 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86966966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).