3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide

C15H17F4N3O2 — CID 71975573

IUPAC3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC1CCN(C)C1=O
InChIInChI=1S/C15H17F4N3O2/c1-8-10(16)5-9(13(23)20-7-15(17,18)19)6-12(8)21-11-3-4-22(2)14(11)24/h5-6,11,21H,3-4,7H2,1-2H3,(H,20,23)
InChIKeyFVCCBKNBJIRHSO-UHFFFAOYSA-N
MW347.31 g/mol
LogP2.07
Rot. Bonds4

About 3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide

3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 71975573) has the molecular formula C15H17F4N3O2 and a molecular weight of 347.31 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID71975573
Molecular FormulaC15H17F4N3O2
Molecular Weight347.31 g/mol
Exact Mass347.13
IUPAC Name3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC1CCN(C)C1=O
InChIInChI=1S/C15H17F4N3O2/c1-8-10(16)5-9(13(23)20-7-15(17,18)19)6-12(8)21-11-3-4-22(2)14(11)24/h5-6,11,21H,3-4,7H2,1-2H3,(H,20,23)
InChIKeyFVCCBKNBJIRHSO-UHFFFAOYSA-N
XLogP2.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 71975573) is 3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide is Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC1CCN(C)C1=O.
What is the InChIKey of 3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FVCCBKNBJIRHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N3O2/c1-8-10(16)5-9(13(23)20-7-15(17,18)19)6-12(8)21-11-3-4-22(2)14(11)24/h5-6,11,21H,3-4,7H2,1-2H3,(H,20,23).
What are the key properties of 3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 347.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 71975573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).