N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide

C15H17ClN2O4 — CID 974717

IUPACN-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCN2C(=O)CCC2=O)cc1Cl
InChIInChI=1S/C15H17ClN2O4/c1-22-12-5-4-10(9-11(12)16)17-13(19)3-2-8-18-14(20)6-7-15(18)21/h4-5,9H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyMCOIDXJMSHKLPD-UHFFFAOYSA-N
MW324.76 g/mol
LogP2.22
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide

N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 974717) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID974717
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCN2C(=O)CCC2=O)cc1Cl
InChIInChI=1S/C15H17ClN2O4/c1-22-12-5-4-10(9-11(12)16)17-13(19)3-2-8-18-14(20)6-7-15(18)21/h4-5,9H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyMCOIDXJMSHKLPD-UHFFFAOYSA-N
XLogP2.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide (CID 974717) is N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide is COc1ccc(NC(=O)CCCN2C(=O)CCC2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is MCOIDXJMSHKLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c1-22-12-5-4-10(9-11(12)16)17-13(19)3-2-8-18-14(20)6-7-15(18)21/h4-5,9H,2-3,6-8H2,1H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 324.76 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 974717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).