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

C23H20ClF4N3O4 — CID 155732536

IUPACN-[(1R)-1-(2-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindole-5-carboxamide
SMILESCNC(=O)CCC(C=O)N1Cc2cc(C(=O)N[C@H](c3ccc(F)cc3Cl)C(F)(F)F)ccc2C1=O
InChIInChI=1S/C23H20ClF4N3O4/c1-29-19(33)7-4-15(11-32)31-10-13-8-12(2-5-16(13)22(31)35)21(34)30-20(23(26,27)28)17-6-3-14(25)9-18(17)24/h2-3,5-6,8-9,11,15,20H,4,7,10H2,1H3,(H,29,33)(H,30,34)/t15?,20-/m1/s1
InChIKeyUHWLWVFAGCVWEX-YQYDADCPSA-N
MW513.88 g/mol
LogP3.56
Rot. Bonds8

About 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

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 (PubChem CID 155732536) has the molecular formula C23H20ClF4N3O4 and a molecular weight of 513.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(1R)-1-(2-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindole-5-carboxamide
PubChem CID155732536
Molecular FormulaC23H20ClF4N3O4
Molecular Weight513.88 g/mol
Exact Mass513.11
IUPAC NameN-[(1R)-1-(2-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindole-5-carboxamide
SMILESCNC(=O)CCC(C=O)N1Cc2cc(C(=O)N[C@H](c3ccc(F)cc3Cl)C(F)(F)F)ccc2C1=O
InChIInChI=1S/C23H20ClF4N3O4/c1-29-19(33)7-4-15(11-32)31-10-13-8-12(2-5-16(13)22(31)35)21(34)30-20(23(26,27)28)17-6-3-14(25)9-18(17)24/h2-3,5-6,8-9,11,15,20H,4,7,10H2,1H3,(H,29,33)(H,30,34)/t15?,20-/m1/s1
InChIKeyUHWLWVFAGCVWEX-YQYDADCPSA-N
XLogP3.56
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.88
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 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

Eragidomide
CID 118647211
N-butyl-2-[2-(4-chlorophenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68772321
2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide
CID 68775231
2-[2-(4-chlorophenyl)-2-methylpropyl]-N-(3-fluoropropyl)-3-oxo-1H-isoindole-1-carboxamide
CID 127031270
2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propanoyl]-N-methyl-1,3-dihydroisoindole-5-carboxamide;hydrochloride
CID 156013876
2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 24785509
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-ethyl-3-oxo-1H-isoindole-1-carboxamide
CID 24944533
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide
CID 25029943
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide
CID 25029944
N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide
CID 130300205
3-[6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 137519323
2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide
CID 15989042

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)CCC(C=O)N1Cc2cc(C(=O)N[C@H](c3ccc(F)cc3Cl)C(F)(F)F)ccc2C1=O.
What is the InChIKey of 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?
The InChIKey is UHWLWVFAGCVWEX-YQYDADCPSA-N. The full InChI is InChI=1S/C23H20ClF4N3O4/c1-29-19(33)7-4-15(11-32)31-10-13-8-12(2-5-16(13)22(31)35)21(34)30-20(23(26,27)28)17-6-3-14(25)9-18(17)24/h2-3,5-6,8-9,11,15,20H,4,7,10H2,1H3,(H,29,33)(H,30,34)/t15?,20-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 513.88 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155732536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).