(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide

C20H20F3N3O2 — CID 8967599

IUPAC(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O2/c1-13(19(28)25-16-6-4-14(5-7-16)20(21,22)23)24-15-8-10-17(11-9-15)26-12-2-3-18(26)27/h4-11,13,24H,2-3,12H2,1H3,(H,25,28)/t13-/m1/s1
InChIKeyWCCKVWNRVOOJTQ-CYBMUJFWSA-N
MW391.39 g/mol
LogP4.27
Rot. Bonds5

About (2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide

(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 8967599) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is (2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID8967599
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O2/c1-13(19(28)25-16-6-4-14(5-7-16)20(21,22)23)24-15-8-10-17(11-9-15)26-12-2-3-18(26)27/h4-11,13,24H,2-3,12H2,1H3,(H,25,28)/t13-/m1/s1
InChIKeyWCCKVWNRVOOJTQ-CYBMUJFWSA-N
XLogP4.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17494587
(2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 40795984
N-(2-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493498
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide
CID 41104777
(2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25376489
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 71899235
(2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967638
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 8967599) is (2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide is C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WCCKVWNRVOOJTQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-13(19(28)25-16-6-4-14(5-7-16)20(21,22)23)24-15-8-10-17(11-9-15)26-12-2-3-18(26)27/h4-11,13,24H,2-3,12H2,1H3,(H,25,28)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide?
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 391.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 8967599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).