N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide

C15H14ClF3N2O3 — CID 156823102

IUPACN-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide
SMILESO=CNC(C=O)CCC(=O)N1Cc2cc(Cl)c(C(F)(F)F)cc2C1
InChIInChI=1S/C15H14ClF3N2O3/c16-13-4-10-6-21(5-9(10)3-12(13)15(17,18)19)14(24)2-1-11(7-22)20-8-23/h3-4,7-8,11H,1-2,5-6H2,(H,20,23)
InChIKeyDPLOJAHZTBWMRV-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.29
Rot. Bonds6

About N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide

N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide (PubChem CID 156823102) has the molecular formula C15H14ClF3N2O3 and a molecular weight of 362.74 g/mol. Its IUPAC name is N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide.

Molecular Properties

Compound NameN-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide
PubChem CID156823102
Molecular FormulaC15H14ClF3N2O3
Molecular Weight362.74 g/mol
Exact Mass362.06
IUPAC NameN-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide
SMILESO=CNC(C=O)CCC(=O)N1Cc2cc(Cl)c(C(F)(F)F)cc2C1
InChIInChI=1S/C15H14ClF3N2O3/c16-13-4-10-6-21(5-9(10)3-12(13)15(17,18)19)14(24)2-1-11(7-22)20-8-23/h3-4,7-8,11H,1-2,5-6H2,(H,20,23)
InChIKeyDPLOJAHZTBWMRV-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67460669
(2S)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67461494
(2S)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 156009582
(2S)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 156015776
(2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide
CID 99835354
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 155809017
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42641012
3-[5-[[[2-(3-Chloro-4-methylphenyl)-2,2-difluoroethyl]amino]methyl]-1,3-dihydroisoindol-2-yl]piperidin-2-one
CID 144997331
N-[(1R)-1-(2-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindole-5-carboxamide
CID 155732536
2-[6-[[[2-(4-chlorophenyl)-2,2-difluoroacetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 156462630
2-[6-[[[2-(4-chlorophenyl)-2,2-difluoroacetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane
CID 156750038
5-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-formamido-N-methyl-5-oxopentanamide
CID 156822864

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide?
The IUPAC name of N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide (CID 156823102) is N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide.
What is the SMILES notation for N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide?
The canonical SMILES for N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide is O=CNC(C=O)CCC(=O)N1Cc2cc(Cl)c(C(F)(F)F)cc2C1.
What is the InChIKey of N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide?
The InChIKey is DPLOJAHZTBWMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O3/c16-13-4-10-6-21(5-9(10)3-12(13)15(17,18)19)14(24)2-1-11(7-22)20-8-23/h3-4,7-8,11H,1-2,5-6H2,(H,20,23).
What are the key properties of N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide?
N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide has a molecular weight of 362.74 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-1,5-dioxopentan-2-yl]formamide is sourced from PubChem (CID 156823102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).