N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide

C14H15F3N2O2 — CID 124508544

IUPACN-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
SMILESCC(=O)N1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H15F3N2O2/c1-9(20)19-7-6-12(8-19)18-13(21)10-2-4-11(5-3-10)14(15,16)17/h2-5,12H,6-8H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyGUJKUEJOICYMAD-LBPRGKRZSA-N
MW300.28 g/mol
LogP2.06
Rot. Bonds2

About N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide

N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 124508544) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID124508544
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
SMILESCC(=O)N1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H15F3N2O2/c1-9(20)19-7-6-12(8-19)18-13(21)10-2-4-11(5-3-10)14(15,16)17/h2-5,12H,6-8H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyGUJKUEJOICYMAD-LBPRGKRZSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558603
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
CID 108561404
N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 51221242
4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108558559
benzyl 4-[[4-(trifluoromethyl)benzoyl]amino]piperidine-1-carboxylate
CID 108563054
N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
CID 110871344
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide (CID 124508544) is N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide is CC(=O)N1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is GUJKUEJOICYMAD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-9(20)19-7-6-12(8-19)18-13(21)10-2-4-11(5-3-10)14(15,16)17/h2-5,12H,6-8H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide?
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 300.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 124508544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).