N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide

C18H12ClF3N2O3 — CID 113082064

IUPACN-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCN1C(=O)c2cccc(Cl)c2C1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12ClF3N2O3/c19-13-3-1-2-12-14(13)17(27)24(16(12)26)9-8-23-15(25)10-4-6-11(7-5-10)18(20,21)22/h1-7H,8-9H2,(H,23,25)
InChIKeyNEMYRYTVRLSBPJ-UHFFFAOYSA-N
MW396.75 g/mol
LogP3.38
Rot. Bonds4

About N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 113082064) has the molecular formula C18H12ClF3N2O3 and a molecular weight of 396.75 g/mol. Its IUPAC name is N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID113082064
Molecular FormulaC18H12ClF3N2O3
Molecular Weight396.75 g/mol
Exact Mass396.05
IUPAC NameN-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCN1C(=O)c2cccc(Cl)c2C1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12ClF3N2O3/c19-13-3-1-2-12-14(13)17(27)24(16(12)26)9-8-23-15(25)10-4-6-11(7-5-10)18(20,21)22/h1-7H,8-9H2,(H,23,25)
InChIKeyNEMYRYTVRLSBPJ-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide
CID 113082038
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113202215
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide
CID 113082354
2-(4-chloro-1,3-dioxoisoindol-2-yl)acetic acid
CID 117031849
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 113082355
4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082271
N-butyl-3-(4-chloro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202097
2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide
CID 113082330
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-propylacetamide
CID 113201263
3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082254
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 113201305

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide (CID 113082064) is N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide is O=C(NCCN1C(=O)c2cccc(Cl)c2C1=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is NEMYRYTVRLSBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O3/c19-13-3-1-2-12-14(13)17(27)24(16(12)26)9-8-23-15(25)10-4-6-11(7-5-10)18(20,21)22/h1-7H,8-9H2,(H,23,25).
What are the key properties of N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 396.75 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113082064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).