N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide

C16H19ClN2O4 — CID 2219838

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C16H19ClN2O4/c1-10-8-12(13(23-2)9-11(10)17)18-14(20)4-3-7-19-15(21)5-6-16(19)22/h8-9H,3-7H2,1-2H3,(H,18,20)
InChIKeyUMKYEPZJFVKYKX-UHFFFAOYSA-N
MW338.79 g/mol
LogP2.52
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 2219838) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID2219838
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C16H19ClN2O4/c1-10-8-12(13(23-2)9-11(10)17)18-14(20)4-3-7-19-15(21)5-6-16(19)22/h8-9H,3-7H2,1-2H3,(H,18,20)
InChIKeyUMKYEPZJFVKYKX-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopentylacetamide
CID 2668973
N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4883651
butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate
CID 1568291
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 4826976
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(2-methoxyphenyl)ethylamino]acetamide
CID 4877457
[2-(4-Chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 16283745
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 2335619
[2-(4-Chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3419297
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800373
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 5234733
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9509095
3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 2909291

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide (CID 2219838) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide is COc1cc(Cl)c(C)cc1NC(=O)CCCN1C(=O)CCC1=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is UMKYEPZJFVKYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-10-8-12(13(23-2)9-11(10)17)18-14(20)4-3-7-19-15(21)5-6-16(19)22/h8-9H,3-7H2,1-2H3,(H,18,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 338.79 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 2219838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).