N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

C20H19ClN2O3 — CID 1189092

IUPACN-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C20H19ClN2O3/c1-12-10-13(2)18(16(21)11-12)22-17(24)8-5-9-23-19(25)14-6-3-4-7-15(14)20(23)26/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,22,24)
InChIKeyNVLGUOJKRQFBBH-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.97
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 1189092) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID1189092
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C20H19ClN2O3/c1-12-10-13(2)18(16(21)11-12)22-17(24)8-5-9-23-19(25)14-6-3-4-7-15(14)20(23)26/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,22,24)
InChIKeyNVLGUOJKRQFBBH-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 1189092) is N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is Cc1cc(C)c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is NVLGUOJKRQFBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12-10-13(2)18(16(21)11-12)22-17(24)8-5-9-23-19(25)14-6-3-4-7-15(14)20(23)26/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,22,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 370.84 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 1189092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).