N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C22H25FN2O2 — CID 113183459

IUPACN-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3F)C2)cc1
InChIInChI=1S/C22H25FN2O2/c1-22(2,3)17-8-10-18(11-9-17)24-21(27)16-12-20(26)25(14-16)13-15-6-4-5-7-19(15)23/h4-11,16H,12-14H2,1-3H3,(H,24,27)
InChIKeyVPRAUAUOOMBIDR-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.11
Rot. Bonds4

About N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113183459) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113183459
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3F)C2)cc1
InChIInChI=1S/C22H25FN2O2/c1-22(2,3)17-8-10-18(11-9-17)24-21(27)16-12-20(26)25(14-16)13-15-6-4-5-7-19(15)23/h4-11,16H,12-14H2,1-3H3,(H,24,27)
InChIKeyVPRAUAUOOMBIDR-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183470
N-(1,3-benzodioxol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183494
1-[(2-fluorophenyl)methyl]-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113183477
N-(2-bromophenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183492
N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78756753
(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8701516
N-(4-tert-butylphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184440
methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113183484
N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184031
1-[(2-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183678
N-(4-bromophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183219
1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42651418

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113183459) is N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3F)C2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VPRAUAUOOMBIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-22(2,3)17-8-10-18(11-9-17)24-21(27)16-12-20(26)25(14-16)13-15-6-4-5-7-19(15)23/h4-11,16H,12-14H2,1-3H3,(H,24,27).
What are the key properties of N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113183459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).