N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C16H19ClN2O5 — CID 47067788

IUPACN-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCOCCOc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1Cl
InChIInChI=1S/C16H19ClN2O5/c1-23-8-9-24-13-3-2-11(10-12(13)17)18-14(20)6-7-19-15(21)4-5-16(19)22/h2-3,10H,4-9H2,1H3,(H,18,20)
InChIKeyMHQGOSSPBNOWDK-UHFFFAOYSA-N
MW354.79 g/mol
LogP1.84
Rot. Bonds8

About N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 47067788) has the molecular formula C16H19ClN2O5 and a molecular weight of 354.79 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID47067788
Molecular FormulaC16H19ClN2O5
Molecular Weight354.79 g/mol
Exact Mass354.10
IUPAC NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCOCCOc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1Cl
InChIInChI=1S/C16H19ClN2O5/c1-23-8-9-24-13-3-2-11(10-12(13)17)18-14(20)6-7-19-15(21)4-5-16(19)22/h2-3,10H,4-9H2,1H3,(H,18,20)
InChIKeyMHQGOSSPBNOWDK-UHFFFAOYSA-N
XLogP1.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide 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

4-[3-chloro-4-(2-methoxyethoxy)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133689
N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281917
N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 175055653
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9210364
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methylcyclopentane-1-carboxamide
CID 95161970
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
CID 47349978
N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 127267538
4-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 167745572
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-prop-2-ynylpiperazine-1-carboxamide
CID 75393749
N-(3-chloro-4-methoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591915

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 47067788) is N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is COCCOc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is MHQGOSSPBNOWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O5/c1-23-8-9-24-13-3-2-11(10-12(13)17)18-14(20)6-7-19-15(21)4-5-16(19)22/h2-3,10H,4-9H2,1H3,(H,18,20).
What are the key properties of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 354.79 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 47067788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).