N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide

C15H12F4N2O3 — CID 98130864

IUPACN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C1C[C@H](N(C(=O)c2ccc(F)c(C(F)(F)F)c2)C2CC2)C(=O)N1
InChIInChI=1S/C15H12F4N2O3/c16-10-4-1-7(5-9(10)15(17,18)19)14(24)21(8-2-3-8)11-6-12(22)20-13(11)23/h1,4-5,8,11H,2-3,6H2,(H,20,22,23)/t11-/m0/s1
InChIKeySAZLWLTZWLWPFE-NSHDSACASA-N
MW344.26 g/mol
LogP1.86
Rot. Bonds3

About N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide

N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 98130864) has the molecular formula C15H12F4N2O3 and a molecular weight of 344.26 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID98130864
Molecular FormulaC15H12F4N2O3
Molecular Weight344.26 g/mol
Exact Mass344.08
IUPAC NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C1C[C@H](N(C(=O)c2ccc(F)c(C(F)(F)F)c2)C2CC2)C(=O)N1
InChIInChI=1S/C15H12F4N2O3/c16-10-4-1-7(5-9(10)15(17,18)19)14(24)21(8-2-3-8)11-6-12(22)20-13(11)23/h1,4-5,8,11H,2-3,6H2,(H,20,22,23)/t11-/m0/s1
InChIKeySAZLWLTZWLWPFE-NSHDSACASA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoropropyl)-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide
CID 90656834
N-[2-[[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide
CID 508742
2-fluoro-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzamide
CID 2449503
3-[1-(3-Fluoro-benzoyl)-piperidin-4-ylamino]-pyrrolidine-2,5-dione
CID 2997104
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 4785645
N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide
CID 4788423
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-cyclopropylpyrrolidine-2-carboxamide
CID 16737760
(R)-N-(2-((1-benzylpyrrolidin-3-yl)amino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 44453592
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-4-fluorobenzamide
CID 45267371
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-3-fluorobenzamide
CID 45270793
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-2-fluorobenzamide
CID 45270889
N-(1-((R)-1-(4-((2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl)ethylcarbamoyl)cyclopropyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 46229967

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide (CID 98130864) is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide is O=C1C[C@H](N(C(=O)c2ccc(F)c(C(F)(F)F)c2)C2CC2)C(=O)N1.
What is the InChIKey of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is SAZLWLTZWLWPFE-NSHDSACASA-N. The full InChI is InChI=1S/C15H12F4N2O3/c16-10-4-1-7(5-9(10)15(17,18)19)14(24)21(8-2-3-8)11-6-12(22)20-13(11)23/h1,4-5,8,11H,2-3,6H2,(H,20,22,23)/t11-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide?
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 344.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 98130864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).