1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C24H26F3N3O3 — CID 112791198

IUPAC1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C24H26F3N3O3/c1-16-2-4-17(5-3-16)14-30-15-18(12-22(30)31)23(32)28-20-13-19(24(25,26)27)6-7-21(20)29-8-10-33-11-9-29/h2-7,13,18H,8-12,14-15H2,1H3,(H,28,32)
InChIKeySAMLTNORJWLRPY-UHFFFAOYSA-N
MW461.48 g/mol
LogP3.84
Rot. Bonds5

About 1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 112791198) has the molecular formula C24H26F3N3O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID112791198
Molecular FormulaC24H26F3N3O3
Molecular Weight461.48 g/mol
Exact Mass461.19
IUPAC Name1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C24H26F3N3O3/c1-16-2-4-17(5-3-16)14-30-15-18(12-22(30)31)23(32)28-20-13-19(24(25,26)27)6-7-21(20)29-8-10-33-11-9-29/h2-7,13,18H,8-12,14-15H2,1H3,(H,28,32)
InChIKeySAMLTNORJWLRPY-UHFFFAOYSA-N
XLogP3.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 25331872
(3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7774556
1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55394229
trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42912272
2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
N-[(4-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46489423
1-[(4-methylphenyl)methyl]-5-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 112763936
N-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 45132865
(3S)-1-[(4-methylphenyl)methyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7409309
(3S)-1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide
CID 95247764
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55891516

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 112791198) is 1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SAMLTNORJWLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3/c1-16-2-4-17(5-3-16)14-30-15-18(12-22(30)31)23(32)28-20-13-19(24(25,26)27)6-7-21(20)29-8-10-33-11-9-29/h2-7,13,18H,8-12,14-15H2,1H3,(H,28,32).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 461.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 112791198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).