N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

C23H21F5N2O2 — CID 112830835

IUPACN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2ccc(F)cc2F)C2CC2)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H21F5N2O2/c24-18-5-4-15(20(25)10-18)13-30(19-6-7-19)22(32)16-9-21(31)29(12-16)11-14-2-1-3-17(8-14)23(26,27)28/h1-5,8,10,16,19H,6-7,9,11-13H2
InChIKeyTWMFOYLMIIIHBG-UHFFFAOYSA-N
MW452.42 g/mol
LogP4.52
Rot. Bonds6

About N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 112830835) has the molecular formula C23H21F5N2O2 and a molecular weight of 452.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID112830835
Molecular FormulaC23H21F5N2O2
Molecular Weight452.42 g/mol
Exact Mass452.15
IUPAC NameN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2ccc(F)cc2F)C2CC2)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H21F5N2O2/c24-18-5-4-15(20(25)10-18)13-30(19-6-7-19)22(32)16-9-21(31)29(12-16)11-14-2-1-3-17(8-14)23(26,27)28/h1-5,8,10,16,19H,6-7,9,11-13H2
InChIKeyTWMFOYLMIIIHBG-UHFFFAOYSA-N
XLogP4.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

2-[cyclopropyl-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119202992
N-methyl-5-oxo-N-piperidin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119442259
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 55891693
N-(1-aminopropan-2-yl)-N-methyl-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119582564
N-(2,3-dimethylphenyl)-N-methyl-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55918108
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 47039377
(3S)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 94373729
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 119410591
N-(2-amino-2-methylpropyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119627320
N-[(4-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46489423
(5R)-5-(azepane-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 42593464
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 120655849

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 112830835) is N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is O=C1CC(C(=O)N(Cc2ccc(F)cc2F)C2CC2)CN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is TWMFOYLMIIIHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F5N2O2/c24-18-5-4-15(20(25)10-18)13-30(19-6-7-19)22(32)16-9-21(31)29(12-16)11-14-2-1-3-17(8-14)23(26,27)28/h1-5,8,10,16,19H,6-7,9,11-13H2.
What are the key properties of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 452.42 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 112830835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).