N,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C19H25F3N2O2 — CID 71956311

IUPACN,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CC(C(=O)N(CC)CC)C(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H25F3N2O2/c1-4-17(25)24-11-15(16(12-24)18(26)23(5-2)6-3)13-8-7-9-14(10-13)19(20,21)22/h7-10,15-16H,4-6,11-12H2,1-3H3
InChIKeyNYRDVFHFDCEZSD-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.53
Rot. Bonds5

About N,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 71956311) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is N,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID71956311
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC NameN,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CC(C(=O)N(CC)CC)C(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H25F3N2O2/c1-4-17(25)24-11-15(16(12-24)18(26)23(5-2)6-3)13-8-7-9-14(10-13)19(20,21)22/h7-10,15-16H,4-6,11-12H2,1-3H3
InChIKeyNYRDVFHFDCEZSD-UHFFFAOYSA-N
XLogP3.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 71956311) is N,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CCC(=O)N1CC(C(=O)N(CC)CC)C(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is NYRDVFHFDCEZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-4-17(25)24-11-15(16(12-24)18(26)23(5-2)6-3)13-8-7-9-14(10-13)19(20,21)22/h7-10,15-16H,4-6,11-12H2,1-3H3.
What are the key properties of N,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71956311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).