N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide

C23H25F3N4O3 — CID 24561251

IUPACN,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C23H25F3N4O3/c1-29(2)22(33)19-10-5-11-30(19)14-20(31)27-17-8-3-6-15(12-17)21(32)28-18-9-4-7-16(13-18)23(24,25)26/h3-4,6-9,12-13,19H,5,10-11,14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeySGSQDGZLTDSITQ-UHFFFAOYSA-N
MW462.47 g/mol
LogP3.45
Rot. Bonds6

About N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide

N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide (PubChem CID 24561251) has the molecular formula C23H25F3N4O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide
PubChem CID24561251
Molecular FormulaC23H25F3N4O3
Molecular Weight462.47 g/mol
Exact Mass462.19
IUPAC NameN,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C23H25F3N4O3/c1-29(2)22(33)19-10-5-11-30(19)14-20(31)27-17-8-3-6-15(12-17)21(32)28-18-9-4-7-16(13-18)23(24,25)26/h3-4,6-9,12-13,19H,5,10-11,14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeySGSQDGZLTDSITQ-UHFFFAOYSA-N
XLogP3.45
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908871
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110881552
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
(2S)-1-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910364
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54842854
2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 166601910
3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26007772
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
propyl 2-[3-oxo-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]piperazin-2-yl]acetate
CID 54819832
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide (CID 24561251) is N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is SGSQDGZLTDSITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O3/c1-29(2)22(33)19-10-5-11-30(19)14-20(31)27-17-8-3-6-15(12-17)21(32)28-18-9-4-7-16(13-18)23(24,25)26/h3-4,6-9,12-13,19H,5,10-11,14H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 462.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24561251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).