N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide

C19H18F3N3O2 — CID 126443376

IUPACN-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCN1C[C@H](NC(=O)c2cccc(-c3cccc(C(F)(F)F)n3)c2)CC1=O
InChIInChI=1S/C19H18F3N3O2/c1-2-25-11-14(10-17(25)26)23-18(27)13-6-3-5-12(9-13)15-7-4-8-16(24-15)19(20,21)22/h3-9,14H,2,10-11H2,1H3,(H,23,27)/t14-/m1/s1
InChIKeyVSUHPVYJERYZJK-CQSZACIVSA-N
MW377.37 g/mol
LogP3.12
Rot. Bonds4

About N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide

N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 126443376) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID126443376
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCN1C[C@H](NC(=O)c2cccc(-c3cccc(C(F)(F)F)n3)c2)CC1=O
InChIInChI=1S/C19H18F3N3O2/c1-2-25-11-14(10-17(25)26)23-18(27)13-6-3-5-12(9-13)15-7-4-8-16(24-15)19(20,21)22/h3-9,14H,2,10-11H2,1H3,(H,23,27)/t14-/m1/s1
InChIKeyVSUHPVYJERYZJK-CQSZACIVSA-N
XLogP3.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide
CID 125159905
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 95885487
3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
CID 126428125
4-(6-methoxy-2-pyridinyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 118767079
5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
CID 56863100
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
CID 110736530
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 16822243
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide
CID 110736702
N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122556418
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 16822152
N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 126439822
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 42528068

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide (CID 126443376) is N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide is CCN1C[C@H](NC(=O)c2cccc(-c3cccc(C(F)(F)F)n3)c2)CC1=O.
What is the InChIKey of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is VSUHPVYJERYZJK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-2-25-11-14(10-17(25)26)23-18(27)13-6-3-5-12(9-13)15-7-4-8-16(24-15)19(20,21)22/h3-9,14H,2,10-11H2,1H3,(H,23,27)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 377.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 126443376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).