4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide

C19H19F3N4O2 — CID 46399286

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(C(F)(F)F)cn1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)14-5-8-16(25-12-14)23-9-10-24-18(28)13-3-6-15(7-4-13)26-11-1-2-17(26)27/h3-8,12H,1-2,9-11H2,(H,23,25)(H,24,28)
InChIKeyNPSPTEPHVKZHDE-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.07
Rot. Bonds6

About 4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide

4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide (PubChem CID 46399286) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
PubChem CID46399286
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(C(F)(F)F)cn1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)14-5-8-16(25-12-14)23-9-10-24-18(28)13-3-6-15(7-4-13)26-11-1-2-17(26)27/h3-8,12H,1-2,9-11H2,(H,23,25)(H,24,28)
InChIKeyNPSPTEPHVKZHDE-UHFFFAOYSA-N
XLogP3.07
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 51081174
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
1-methylsulfonyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2,3-dihydroindole-5-carboxamide
CID 55617742
4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46399393
6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133345456
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55839404
3-(diethylsulfamoyl)-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55617740
4-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3571977
N-(2-hydroxy-2-phenylpropyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111334828

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide (CID 46399286) is 4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide is O=C(NCCNc1ccc(C(F)(F)F)cn1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The InChIKey is NPSPTEPHVKZHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)14-5-8-16(25-12-14)23-9-10-24-18(28)13-3-6-15(7-4-13)26-11-1-2-17(26)27/h3-8,12H,1-2,9-11H2,(H,23,25)(H,24,28).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide is sourced from PubChem (CID 46399286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).