2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide

C11H10ClF3N2O — CID 19692000

IUPAC2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide
SMILESO=C(CCl)NN1Cc2cccc(C(F)(F)F)c2C1
InChIInChI=1S/C11H10ClF3N2O/c12-4-10(18)16-17-5-7-2-1-3-9(8(7)6-17)11(13,14)15/h1-3H,4-6H2,(H,16,18)
InChIKeyNZWHIHKUWLICER-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.29
Rot. Bonds2

About 2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide

2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide (PubChem CID 19692000) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is 2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide
PubChem CID19692000
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC Name2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide
SMILESO=C(CCl)NN1Cc2cccc(C(F)(F)F)c2C1
InChIInChI=1S/C11H10ClF3N2O/c12-4-10(18)16-17-5-7-2-1-3-9(8(7)6-17)11(13,14)15/h1-3H,4-6H2,(H,16,18)
InChIKeyNZWHIHKUWLICER-UHFFFAOYSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide (CID 19692000) is 2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide is O=C(CCl)NN1Cc2cccc(C(F)(F)F)c2C1.
What is the InChIKey of 2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide?
The InChIKey is NZWHIHKUWLICER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c12-4-10(18)16-17-5-7-2-1-3-9(8(7)6-17)11(13,14)15/h1-3H,4-6H2,(H,16,18).
What are the key properties of 2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide?
2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide has a molecular weight of 278.66 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]acetamide is sourced from PubChem (CID 19692000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).