N-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide

C17H10ClF3N2O3 — CID 1097741

IUPACN-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C17H10ClF3N2O3/c18-10-5-7-11(8-6-10)22(16(26)17(19,20)21)9-23-14(24)12-3-1-2-4-13(12)15(23)25/h1-8H,9H2
InChIKeyQFAICFKLDGESLR-UHFFFAOYSA-N
MW382.73 g/mol
LogP3.49
Rot. Bonds3

About N-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide

N-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 1097741) has the molecular formula C17H10ClF3N2O3 and a molecular weight of 382.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID1097741
Molecular FormulaC17H10ClF3N2O3
Molecular Weight382.73 g/mol
Exact Mass382.03
IUPAC NameN-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C17H10ClF3N2O3/c18-10-5-7-11(8-6-10)22(16(26)17(19,20)21)9-23-14(24)12-3-1-2-4-13(12)15(23)25/h1-8H,9H2
InChIKeyQFAICFKLDGESLR-UHFFFAOYSA-N
XLogP3.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide (CID 1097741) is N-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide is O=C1c2ccccc2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is QFAICFKLDGESLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O3/c18-10-5-7-11(8-6-10)22(16(26)17(19,20)21)9-23-14(24)12-3-1-2-4-13(12)15(23)25/h1-8H,9H2.
What are the key properties of N-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide?
N-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 382.73 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1097741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).