3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C24H16F5N3O3 — CID 145175399

IUPAC3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCN(C(=O)C(Cc1cc(F)cc(F)c1)N1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H16F5N3O3/c1-31(16-6-7-20(30-12-16)24(27,28)29)23(35)19(10-13-8-14(25)11-15(26)9-13)32-21(33)17-4-2-3-5-18(17)22(32)34/h2-9,11-12,19H,10H2,1H3
InChIKeyHDTOVONKPGWIFE-UHFFFAOYSA-N
MW489.40 g/mol
LogP4.25
Rot. Bonds5

About 3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide

3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 145175399) has the molecular formula C24H16F5N3O3 and a molecular weight of 489.40 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID145175399
Molecular FormulaC24H16F5N3O3
Molecular Weight489.40 g/mol
Exact Mass489.11
IUPAC Name3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCN(C(=O)C(Cc1cc(F)cc(F)c1)N1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H16F5N3O3/c1-31(16-6-7-20(30-12-16)24(27,28)29)23(35)19(10-13-8-14(25)11-15(26)9-13)32-21(33)17-4-2-3-5-18(17)22(32)34/h2-9,11-12,19H,10H2,1H3
InChIKeyHDTOVONKPGWIFE-UHFFFAOYSA-N
XLogP4.25
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of 3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 145175399) is 3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CN(C(=O)C(Cc1cc(F)cc(F)c1)N1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is HDTOVONKPGWIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F5N3O3/c1-31(16-6-7-20(30-12-16)24(27,28)29)23(35)19(10-13-8-14(25)11-15(26)9-13)32-21(33)17-4-2-3-5-18(17)22(32)34/h2-9,11-12,19H,10H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 489.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 145175399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).