N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C20H18ClN3O4 — CID 110596437

IUPACN-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCOc1ccc(NC2=C(c3ccc(NC(C)=O)cc3)C(=O)N(C)C2=O)cc1Cl
InChIInChI=1S/C20H18ClN3O4/c1-11(25)22-13-6-4-12(5-7-13)17-18(20(27)24(2)19(17)26)23-14-8-9-16(28-3)15(21)10-14/h4-10,23H,1-3H3,(H,22,25)
InChIKeyWKEAAFFKTUUMQJ-UHFFFAOYSA-N
MW399.83 g/mol
LogP3.13
Rot. Bonds5

About N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110596437) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110596437
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC NameN-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCOc1ccc(NC2=C(c3ccc(NC(C)=O)cc3)C(=O)N(C)C2=O)cc1Cl
InChIInChI=1S/C20H18ClN3O4/c1-11(25)22-13-6-4-12(5-7-13)17-18(20(27)24(2)19(17)26)23-14-8-9-16(28-3)15(21)10-14/h4-10,23H,1-3H3,(H,22,25)
InChIKeyWKEAAFFKTUUMQJ-UHFFFAOYSA-N
XLogP3.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide 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

N-[4-[4-(3-chloro-4-methoxyanilino)-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110596723
N-[4-[1-methyl-2,5-dioxo-4-(3,4,5-trimethoxyanilino)pyrrol-3-yl]phenyl]acetamide
CID 110562716
N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596439
3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-phenylpyrrole-2,5-dione
CID 110599882
N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596436
3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110600125
3-(3-chloro-4-methoxyanilino)-1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593381
3-(3-chloro-4-methoxyanilino)-1-(2,4-difluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587530
3-(3-chloro-4-methoxyanilino)-4-(3,4-dimethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110597100
3-(3-chloro-4-methoxyanilino)-1-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600444
3-(3-chloro-4-methoxyanilino)-1-(2-fluorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593322
3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110599644

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110596437) is N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide is COc1ccc(NC2=C(c3ccc(NC(C)=O)cc3)C(=O)N(C)C2=O)cc1Cl.
What is the InChIKey of N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is WKEAAFFKTUUMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-11(25)22-13-6-4-12(5-7-13)17-18(20(27)24(2)19(17)26)23-14-8-9-16(28-3)15(21)10-14/h4-10,23H,1-3H3,(H,22,25).
What are the key properties of N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 399.83 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110596437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).