N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide

C23H17F2N3O3 — CID 55890007

IUPACN-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C(=O)N(Cc1ccccn1)c1ccc(F)cc1F)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H17F2N3O3/c1-14(28-22(30)17-7-2-3-8-18(17)23(28)31)21(29)27(13-16-6-4-5-11-26-16)20-10-9-15(24)12-19(20)25/h2-12,14H,13H2,1H3
InChIKeyPBLDAUVKUJVCSM-UHFFFAOYSA-N
MW421.40 g/mol
LogP3.58
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide

N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 55890007) has the molecular formula C23H17F2N3O3 and a molecular weight of 421.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID55890007
Molecular FormulaC23H17F2N3O3
Molecular Weight421.40 g/mol
Exact Mass421.12
IUPAC NameN-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C(=O)N(Cc1ccccn1)c1ccc(F)cc1F)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H17F2N3O3/c1-14(28-22(30)17-7-2-3-8-18(17)23(28)31)21(29)27(13-16-6-4-5-11-26-16)20-10-9-15(24)12-19(20)25/h2-12,14H,13H2,1H3
InChIKeyPBLDAUVKUJVCSM-UHFFFAOYSA-N
XLogP3.58
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 60535758
N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide
CID 55888737
5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 55890396
N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 55890261
5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 55889236
N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889361
N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55890519
2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55888858
N-[3-[2,4-difluoro-N-(pyridin-2-ylmethyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55889493
(E)-3-(1,3-benzothiazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 55889362
N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55889629
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-2,4-difluorobenzamide
CID 108571861

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 55890007) is N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide is CC(C(=O)N(Cc1ccccn1)c1ccc(F)cc1F)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is PBLDAUVKUJVCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O3/c1-14(28-22(30)17-7-2-3-8-18(17)23(28)31)21(29)27(13-16-6-4-5-11-26-16)20-10-9-15(24)12-19(20)25/h2-12,14H,13H2,1H3.
What are the key properties of N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 421.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 55890007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).