N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

C23H17ClN2O5 — CID 55343832

IUPACN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C23H17ClN2O5/c1-26-22(28)17-9-3-13(11-18(17)23(26)29)21(27)25-19-12-14(24)4-10-20(19)31-16-7-5-15(30-2)6-8-16/h3-12H,1-2H3,(H,25,27)
InChIKeyUSJBJLRNSCWIIO-UHFFFAOYSA-N
MW436.85 g/mol
LogP4.62
Rot. Bonds5

About N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55343832) has the molecular formula C23H17ClN2O5 and a molecular weight of 436.85 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID55343832
Molecular FormulaC23H17ClN2O5
Molecular Weight436.85 g/mol
Exact Mass436.08
IUPAC NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C23H17ClN2O5/c1-26-22(28)17-9-3-13(11-18(17)23(26)29)21(27)25-19-12-14(24)4-10-20(19)31-16-7-5-15(30-2)6-8-16/h3-12H,1-2H3,(H,25,27)
InChIKeyUSJBJLRNSCWIIO-UHFFFAOYSA-N
XLogP4.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.85
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide 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-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 40567340
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24655309
6-chloro-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26267192
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-6-methoxypyridine-3-carboxamide
CID 134056596
N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 27901826
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736273
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide
CID 100614872
N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide
CID 34131638
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]thiophene-2-carboxamide
CID 26267194
N-(5-chloro-2-phenoxyphenyl)-6-methoxypyridine-3-carboxamide
CID 30779619
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 17499132

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 55343832) is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1.
What is the InChIKey of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is USJBJLRNSCWIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O5/c1-26-22(28)17-9-3-13(11-18(17)23(26)29)21(27)25-19-12-14(24)4-10-20(19)31-16-7-5-15(30-2)6-8-16/h3-12H,1-2H3,(H,25,27).
What are the key properties of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 436.85 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55343832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).