N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide

C20H17Cl3N2O3 — CID 2901149

IUPACN-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccccc1Cl)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C20H17Cl3N2O3/c1-10(2)7-17(18(26)24-16-6-4-3-5-13(16)21)25-19(27)11-8-14(22)15(23)9-12(11)20(25)28/h3-6,8-10,17H,7H2,1-2H3,(H,24,26)
InChIKeyACLDRWOHNQTWPV-UHFFFAOYSA-N
MW439.73 g/mol
LogP5.30
Rot. Bonds5

About N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide

N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide (PubChem CID 2901149) has the molecular formula C20H17Cl3N2O3 and a molecular weight of 439.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide
PubChem CID2901149
Molecular FormulaC20H17Cl3N2O3
Molecular Weight439.73 g/mol
Exact Mass438.03
IUPAC NameN-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccccc1Cl)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C20H17Cl3N2O3/c1-10(2)7-17(18(26)24-16-6-4-3-5-13(16)21)25-19(27)11-8-14(22)15(23)9-12(11)20(25)28/h3-6,8-10,17H,7H2,1-2H3,(H,24,26)
InChIKeyACLDRWOHNQTWPV-UHFFFAOYSA-N
XLogP5.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.73
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide 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

(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 8760285
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2420991
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
CID 7067644
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylpentanamide
CID 8714159
(2S)-N-(3-chloro-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1217246
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
(2S)-N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1112281
(2R)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 6936156
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 51140735
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide
CID 4070544
(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2,5-dimethylphenyl)-3-phenylpropanamide
CID 1341132
2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide
CID 19167534

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide (CID 2901149) is N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide is CC(C)CC(C(=O)Nc1ccccc1Cl)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The InChIKey is ACLDRWOHNQTWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl3N2O3/c1-10(2)7-17(18(26)24-16-6-4-3-5-13(16)21)25-19(27)11-8-14(22)15(23)9-12(11)20(25)28/h3-6,8-10,17H,7H2,1-2H3,(H,24,26).
What are the key properties of N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide has a molecular weight of 439.73 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide is sourced from PubChem (CID 2901149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).