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

C20H17ClN2O4 — CID 110583632

IUPACN-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCOc1ccc(C)cc1N1C(=O)C(Cl)=C(c2ccc(NC(C)=O)cc2)C1=O
InChIInChI=1S/C20H17ClN2O4/c1-11-4-9-16(27-3)15(10-11)23-19(25)17(18(21)20(23)26)13-5-7-14(8-6-13)22-12(2)24/h4-10H,1-3H3,(H,22,24)
InChIKeyHFBRZVOOELYABP-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.49
Rot. Bonds4

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

N-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110583632) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110583632
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC NameN-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCOc1ccc(C)cc1N1C(=O)C(Cl)=C(c2ccc(NC(C)=O)cc2)C1=O
InChIInChI=1S/C20H17ClN2O4/c1-11-4-9-16(27-3)15(10-11)23-19(25)17(18(21)20(23)26)13-5-7-14(8-6-13)22-12(2)24/h4-10H,1-3H3,(H,22,24)
InChIKeyHFBRZVOOELYABP-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.49
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-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583595
N-[4-[4-chloro-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583591
3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110583763
3-(3,5-dimethylanilino)-4-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110587353
N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596437
N-[4-[4-(3-chloro-4-methoxyanilino)-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110596723
N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563580
3-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571214
3-(3-chloro-4-methoxyanilino)-1-(2,5-dimethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586964
3-[4-(dimethylamino)anilino]-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595959
N-[4-(2-methoxy-5-methylanilino)phenyl]acetamide
CID 112987716
N-[4-[4-benzylsulfanyl-1-(2-methoxyphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563586

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110583632) is N-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is COc1ccc(C)cc1N1C(=O)C(Cl)=C(c2ccc(NC(C)=O)cc2)C1=O.
What is the InChIKey of N-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is HFBRZVOOELYABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-11-4-9-16(27-3)15(10-11)23-19(25)17(18(21)20(23)26)13-5-7-14(8-6-13)22-12(2)24/h4-10H,1-3H3,(H,22,24).
What are the key properties of N-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 384.82 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110583632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).