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

C20H18ClN3O3 — CID 110596439

IUPACN-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C20H18ClN3O3/c1-11-4-7-14(21)10-16(11)23-18-17(19(26)24(3)20(18)27)13-5-8-15(9-6-13)22-12(2)25/h4-10,23H,1-3H3,(H,22,25)
InChIKeyKYDFJQGYCZYELB-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.43
Rot. Bonds4

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

N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110596439) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110596439
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C20H18ClN3O3/c1-11-4-7-14(21)10-16(11)23-18-17(19(26)24(3)20(18)27)13-5-8-15(9-6-13)22-12(2)25/h4-10,23H,1-3H3,(H,22,25)
InChIKeyKYDFJQGYCZYELB-UHFFFAOYSA-N
XLogP3.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione
CID 110599314
N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596437
N-[4-[4-(2,5-dimethylanilino)-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110596731
3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110599982
N-[4-[3-(2,5-dimethylanilino)-4-(4-fluorophenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110587160
N-[4-[1-methyl-2,5-dioxo-4-(3,4,5-trimethoxyanilino)pyrrol-3-yl]phenyl]acetamide
CID 110562716
N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596436
1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione
CID 110599221
3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110600066
3-(5-chloro-2-methylanilino)-4-(3,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110588845
3-(5-chloro-2-methylanilino)-1-(4-chlorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589582
3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110585934

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110596439) is N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(C)C2=O)cc1.
What is the InChIKey of N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is KYDFJQGYCZYELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-11-4-7-14(21)10-16(11)23-18-17(19(26)24(3)20(18)27)13-5-8-15(9-6-13)22-12(2)25/h4-10,23H,1-3H3,(H,22,25).
What are the key properties of N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 383.84 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110596439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).