3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C14H16F3N3O2 — CID 72862706

IUPAC3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCC(=O)NC1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3N3O2/c1-9(21)18-12-5-6-20(8-12)13(22)19-11-4-2-3-10(7-11)14(15,16)17/h2-4,7,12H,5-6,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyQTIVJRYZZOJOCS-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.45
Rot. Bonds2

About 3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 72862706) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID72862706
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCC(=O)NC1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3N3O2/c1-9(21)18-12-5-6-20(8-12)13(22)19-11-4-2-3-10(7-11)14(15,16)17/h2-4,7,12H,5-6,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyQTIVJRYZZOJOCS-UHFFFAOYSA-N
XLogP2.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide
CID 134118268
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 20628883
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
(3S,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162904175
4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 73139265
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 71805623
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 72862706) is 3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is CC(=O)NC1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is QTIVJRYZZOJOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-9(21)18-12-5-6-20(8-12)13(22)19-11-4-2-3-10(7-11)14(15,16)17/h2-4,7,12H,5-6,8H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 72862706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).