N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide

C20H18Cl2N2O3 — CID 19176296

IUPACN-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
SMILESCCC(C)C(C(=O)NC1=C(C=C(C=C1)Cl)Cl)N2C(=O)C3=CC=CC=C3C2=O
InChIInChI=1S/C20H18Cl2N2O3/c1-3-11(2)17(18(25)23-16-9-8-12(21)10-15(16)22)24-19(26)13-6-4-5-7-14(13)20(24)27/h4-11,17H,3H2,1-2H3,(H,23,25)
InChIKeyKDQBSPZEZXJUPE-UHFFFAOYSA-N
MW405.30 g/mol
LogP4.80
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide

N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide (PubChem CID 19176296) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
PubChem CID19176296
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.30 g/mol
Exact Mass404.07
IUPAC NameN-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
SMILESCCC(C)C(C(=O)NC1=C(C=C(C=C1)Cl)Cl)N2C(=O)C3=CC=CC=C3C2=O
InChIInChI=1S/C20H18Cl2N2O3/c1-3-11(2)17(18(25)23-16-9-8-12(21)10-15(16)22)24-19(26)13-6-4-5-7-14(13)20(24)27/h4-11,17H,3H2,1-2H3,(H,23,25)
InChIKeyKDQBSPZEZXJUPE-UHFFFAOYSA-N
XLogP4.80
TPSA66.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity576

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
N-(4-Amino-2-chlorophenyl)phthalimide
CID 6603717
(2S)-N-[2-(5-chloro-2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 11418931
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(2-isopropyl-phenyl)-acetamide
CID 680595
2-Pyrrol4-[4-(2-chloro-phenyl)-piperazin-1-yl]-butylmorpho-isoindole-1,3-dione
CID 6425322
ST50052723
CID 721301
N-(4-Dimethylamino-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 679884
2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 2070994
2-Cyclohexyl-N-(2,6-dichlorophenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
CID 16020085
3-{2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
CID 9841608
N-(4-chloro-2-((1,3-dioxoisoindolin-2-yl)methyl)phenyl)cyclohexanecarboxamide
CID 11452267

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide (CID 19176296) is N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide is CCC(C)C(C(=O)NC1=C(C=C(C=C1)Cl)Cl)N2C(=O)C3=CC=CC=C3C2=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
The InChIKey is KDQBSPZEZXJUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c1-3-11(2)17(18(25)23-16-9-8-12(21)10-15(16)22)24-19(26)13-6-4-5-7-14(13)20(24)27/h4-11,17H,3H2,1-2H3,(H,23,25).
What are the key properties of N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide has a molecular weight of 405.30 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide is sourced from PubChem (CID 19176296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).