(2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide

C15H16F3N3O3 — CID 130342962

IUPAC(2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1NC(=O)NC1=O
InChIInChI=1S/C15H16F3N3O3/c1-8(6-9-2-4-10(5-3-9)15(16,17)18)12(22)19-7-11-13(23)21-14(24)20-11/h2-5,8,11H,6-7H2,1H3,(H,19,22)(H2,20,21,23,24)/t8-,11-/m1/s1
InChIKeyLSFORXVEYLNQOW-LDYMZIIASA-N
MW343.31 g/mol
LogP1.21
Rot. Bonds5

About (2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide

(2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 130342962) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is (2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID130342962
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Name(2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1NC(=O)NC1=O
InChIInChI=1S/C15H16F3N3O3/c1-8(6-9-2-4-10(5-3-9)15(16,17)18)12(22)19-7-11-13(23)21-14(24)20-11/h2-5,8,11H,6-7H2,1H3,(H,19,22)(H2,20,21,23,24)/t8-,11-/m1/s1
InChIKeyLSFORXVEYLNQOW-LDYMZIIASA-N
XLogP1.21
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 120943626
N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119495884
2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 56793953
N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461371
5-[[[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246079
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119613879
N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 167926376
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119613878
2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 120575190
3,3-difluoro-1-[[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]cyclobutane-1-carboxylic acid
CID 155956636
N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119527909
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 140682230

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide (CID 130342962) is (2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide is C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1NC(=O)NC1=O.
What is the InChIKey of (2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LSFORXVEYLNQOW-LDYMZIIASA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-8(6-9-2-4-10(5-3-9)15(16,17)18)12(22)19-7-11-13(23)21-14(24)20-11/h2-5,8,11H,6-7H2,1H3,(H,19,22)(H2,20,21,23,24)/t8-,11-/m1/s1.
What are the key properties of (2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
(2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 343.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 130342962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).