N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C23H21F3N2O3 — CID 46588656

IUPACN-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESO=C1c2ccccc2C(=O)N1CCCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C23H21F3N2O3/c24-23(25,26)16-9-7-15(8-10-16)14-28(17-11-12-17)20(29)6-3-13-27-21(30)18-4-1-2-5-19(18)22(27)31/h1-2,4-5,7-10,17H,3,6,11-14H2
InChIKeyXRXPAQRNDFBAEU-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.27
Rot. Bonds7

About N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 46588656) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID46588656
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC NameN-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESO=C1c2ccccc2C(=O)N1CCCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C23H21F3N2O3/c24-23(25,26)16-9-7-15(8-10-16)14-28(17-11-12-17)20(29)6-3-13-27-21(30)18-4-1-2-5-19(18)22(27)31/h1-2,4-5,7-10,17H,3,6,11-14H2
InChIKeyXRXPAQRNDFBAEU-UHFFFAOYSA-N
XLogP4.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 90554824
N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 38532450
N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134004426
2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione
CID 139919168
N-tert-butyl-4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 3891356
N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 91963142
N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 6625539
N-(cyclopentylmethyl)-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 86868528
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-4-(3,5-dioxo-1,2,4-triazolidin-4-yl)butanamide
CID 167908214
2-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]butyl]isoindole-1,3-dione
CID 18088542
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 46588656) is N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is O=C1c2ccccc2C(=O)N1CCCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is XRXPAQRNDFBAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c24-23(25,26)16-9-7-15(8-10-16)14-28(17-11-12-17)20(29)6-3-13-27-21(30)18-4-1-2-5-19(18)22(27)31/h1-2,4-5,7-10,17H,3,6,11-14H2.
What are the key properties of N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 430.43 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 46588656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).