1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C18H20ClF3N2O3 — CID 90554784

IUPAC1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(CC(F)(F)F)C2CCOCC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClF3N2O3/c19-13-1-3-14(4-2-13)23-10-12(9-16(23)25)17(26)24(11-18(20,21)22)15-5-7-27-8-6-15/h1-4,12,15H,5-11H2
InChIKeyHPGMHUBJHBOZAE-UHFFFAOYSA-N
MW404.82 g/mol
LogP3.26
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 90554784) has the molecular formula C18H20ClF3N2O3 and a molecular weight of 404.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID90554784
Molecular FormulaC18H20ClF3N2O3
Molecular Weight404.82 g/mol
Exact Mass404.11
IUPAC Name1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(CC(F)(F)F)C2CCOCC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClF3N2O3/c19-13-1-3-14(4-2-13)23-10-12(9-16(23)25)17(26)24(11-18(20,21)22)15-5-7-27-8-6-15/h1-4,12,15H,5-11H2
InChIKeyHPGMHUBJHBOZAE-UHFFFAOYSA-N
XLogP3.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.82
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 71796119
1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90607382
3-[[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 129353558
2-[[(3S)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 125150470
N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119656804
(3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 9391631
1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide
CID 87016245
1-(4-chlorophenyl)-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 87024320
(3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 97017758
(4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one
CID 95985978
1-(3-chloro-4-fluorophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 3236644
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 90554784) is 1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)N(CC(F)(F)F)C2CCOCC2)CN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is HPGMHUBJHBOZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N2O3/c19-13-1-3-14(4-2-13)23-10-12(9-16(23)25)17(26)24(11-18(20,21)22)15-5-7-27-8-6-15/h1-4,12,15H,5-11H2.
What are the key properties of 1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 404.82 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(oxan-4-yl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 90554784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).