2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide

C13H13F3N2O2 — CID 62491616

IUPAC2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(c1ccc(NC(=O)C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)12(20)17-10-5-3-9(4-6-10)11(19)18-7-1-2-8-18/h3-6H,1-2,7-8H2,(H,17,20)
InChIKeyGHWRDFFSEIJRPB-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.42
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide

2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 62491616) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID62491616
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(c1ccc(NC(=O)C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)12(20)17-10-5-3-9(4-6-10)11(19)18-7-1-2-8-18/h3-6H,1-2,7-8H2,(H,17,20)
InChIKeyGHWRDFFSEIJRPB-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 62845824
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide
CID 47063386
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
CID 155525147
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119278060
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea
CID 17279697
azepan-1-yl-(4-hydrazinylphenyl)methanone
CID 62249723

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 62491616) is 2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide is O=C(c1ccc(NC(=O)C(F)(F)F)cc1)N1CCCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is GHWRDFFSEIJRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-13(15,16)12(20)17-10-5-3-9(4-6-10)11(19)18-7-1-2-8-18/h3-6H,1-2,7-8H2,(H,17,20).
What are the key properties of 2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 286.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 62491616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).