(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide

C23H27FN2O2 — CID 92584975

IUPAC(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)CC)C1
InChIInChI=1S/C23H27FN2O2/c1-3-21(27)26-13-12-23(16-26,22(28)25-4-2)15-17-6-5-7-19(14-17)18-8-10-20(24)11-9-18/h5-11,14H,3-4,12-13,15-16H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyTYNXRANHACSUHD-QHCPKHFHSA-N
MW382.48 g/mol
LogP3.80
Rot. Bonds6

About (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide

(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide (PubChem CID 92584975) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
PubChem CID92584975
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)CC)C1
InChIInChI=1S/C23H27FN2O2/c1-3-21(27)26-13-12-23(16-26,22(28)25-4-2)15-17-6-5-7-19(14-17)18-8-10-20(24)11-9-18/h5-11,14H,3-4,12-13,15-16H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyTYNXRANHACSUHD-QHCPKHFHSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243848
N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110229697
(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92592398
(3S)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92592397
(3S)-1-(2,2-dimethylpropanoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592173
(3R)-N-tert-butyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)pyrrolidine-3-carboxamide
CID 92552252
(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 92592317
N-ethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 110245826
(3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 92584946
(3R)-N-ethyl-1-(2-fluorobenzoyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592440
(3S)-1-(4-aminobenzoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592401
(3R)-N-methyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 95850995

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide (CID 92584975) is (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide is CCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)CC)C1.
What is the InChIKey of (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide?
The InChIKey is TYNXRANHACSUHD-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-3-21(27)26-13-12-23(16-26,22(28)25-4-2)15-17-6-5-7-19(14-17)18-8-10-20(24)11-9-18/h5-11,14H,3-4,12-13,15-16H2,1-2H3,(H,25,28)/t23-/m0/s1.
What are the key properties of (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide?
(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92584975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).