1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide

C16H18ClF3N2O3 — CID 87016245

IUPAC1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H18ClF3N2O3/c17-12-2-4-13(5-3-12)22-9-11(8-14(22)23)15(24)21-6-1-7-25-10-16(18,19)20/h2-5,11H,1,6-10H2,(H,21,24)
InChIKeyMWNOQOWJYTYLMU-UHFFFAOYSA-N
MW378.78 g/mol
LogP2.78
Rot. Bonds7

About 1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide

1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide (PubChem CID 87016245) has the molecular formula C16H18ClF3N2O3 and a molecular weight of 378.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide
PubChem CID87016245
Molecular FormulaC16H18ClF3N2O3
Molecular Weight378.78 g/mol
Exact Mass378.10
IUPAC Name1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H18ClF3N2O3/c17-12-2-4-13(5-3-12)22-9-11(8-14(22)23)15(24)21-6-1-7-25-10-16(18,19)20/h2-5,11H,1,6-10H2,(H,21,24)
InChIKeyMWNOQOWJYTYLMU-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.78
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30135344
1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 87016388
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119234476
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134029726
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
1-(4-chlorophenyl)-N-(3-formamidopropyl)-5-oxopyrrolidine-3-carboxamide
CID 108787223
tert-butyl N-[2-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 29131189
N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791044
N-[2-(4-chlorophenoxy)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18273088

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide (CID 87016245) is 1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide is O=C(NCCCOCC(F)(F)F)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide?
The InChIKey is MWNOQOWJYTYLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N2O3/c17-12-2-4-13(5-3-12)22-9-11(8-14(22)23)15(24)21-6-1-7-25-10-16(18,19)20/h2-5,11H,1,6-10H2,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide has a molecular weight of 378.78 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 87016245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).