4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide

C16H20F4N2O — CID 125170249

IUPAC4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESO=C(CCC(F)(F)F)NC[C@@H](c1ccccc1F)N1CCCC1
InChIInChI=1S/C16H20F4N2O/c17-13-6-2-1-5-12(13)14(22-9-3-4-10-22)11-21-15(23)7-8-16(18,19)20/h1-2,5-6,14H,3-4,7-11H2,(H,21,23)/t14-/m0/s1
InChIKeyKVUYQSLHBLPVPZ-AWEZNQCLSA-N
MW332.34 g/mol
LogP3.42
Rot. Bonds6

About 4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide

4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide (PubChem CID 125170249) has the molecular formula C16H20F4N2O and a molecular weight of 332.34 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide
PubChem CID125170249
Molecular FormulaC16H20F4N2O
Molecular Weight332.34 g/mol
Exact Mass332.15
IUPAC Name4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESO=C(CCC(F)(F)F)NC[C@@H](c1ccccc1F)N1CCCC1
InChIInChI=1S/C16H20F4N2O/c17-13-6-2-1-5-12(13)14(22-9-3-4-10-22)11-21-15(23)7-8-16(18,19)20/h1-2,5-6,14H,3-4,7-11H2,(H,21,23)/t14-/m0/s1
InChIKeyKVUYQSLHBLPVPZ-AWEZNQCLSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 125164934
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide
CID 46446929
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 24638619
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 125158769
2-ethyl-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 72935954
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91829882
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 92581576
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95148410
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97124934
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide
CID 74232799

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide (CID 125170249) is 4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide is O=C(CCC(F)(F)F)NC[C@@H](c1ccccc1F)N1CCCC1.
What is the InChIKey of 4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The InChIKey is KVUYQSLHBLPVPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20F4N2O/c17-13-6-2-1-5-12(13)14(22-9-3-4-10-22)11-21-15(23)7-8-16(18,19)20/h1-2,5-6,14H,3-4,7-11H2,(H,21,23)/t14-/m0/s1.
What are the key properties of 4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide?
4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide has a molecular weight of 332.34 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide is sourced from PubChem (CID 125170249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).