4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide

C20H16F3N3O4 — CID 108933494

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C20H16F3N3O4/c21-20(22,23)19(30)25-15-9-4-3-8-14(15)24-16(27)10-5-11-26-17(28)12-6-1-2-7-13(12)18(26)29/h1-4,6-9H,5,10-11H2,(H,24,27)(H,25,30)
InChIKeyKPAUDIGMOQSVES-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.20
Rot. Bonds6

About 4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide (PubChem CID 108933494) has the molecular formula C20H16F3N3O4 and a molecular weight of 419.36 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
PubChem CID108933494
Molecular FormulaC20H16F3N3O4
Molecular Weight419.36 g/mol
Exact Mass419.11
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C20H16F3N3O4/c21-20(22,23)19(30)25-15-9-4-3-8-14(15)24-16(27)10-5-11-26-17(28)12-6-1-2-7-13(12)18(26)29/h1-4,6-9H,5,10-11H2,(H,24,27)(H,25,30)
InChIKeyKPAUDIGMOQSVES-UHFFFAOYSA-N
XLogP3.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]butanamide
CID 108934170
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide
CID 55677974
tert-butyl N-[3-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920274
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933151
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
6-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-1H-pyridin-3-yl)hexanamide
CID 4018238
4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 8503422
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 26686954
11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
CID 3362630
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
CID 2883170

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide (CID 108933494) is 4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The InChIKey is KPAUDIGMOQSVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4/c21-20(22,23)19(30)25-15-9-4-3-8-14(15)24-16(27)10-5-11-26-17(28)12-6-1-2-7-13(12)18(26)29/h1-4,6-9H,5,10-11H2,(H,24,27)(H,25,30).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide has a molecular weight of 419.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide is sourced from PubChem (CID 108933494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).