N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C17H13ClN2O4 — CID 110777932

IUPACN-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C17H13ClN2O4/c1-24-10-6-7-14(13(18)8-10)19-15(21)9-20-16(22)11-4-2-3-5-12(11)17(20)23/h2-8H,9H2,1H3,(H,19,21)
InChIKeyGHWHUYCPRJFSIB-UHFFFAOYSA-N
MW344.75 g/mol
LogP2.58
Rot. Bonds4

About N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 110777932) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID110777932
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC NameN-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C17H13ClN2O4/c1-24-10-6-7-14(13(18)8-10)19-15(21)9-20-16(22)11-4-2-3-5-12(11)17(20)23/h2-8H,9H2,1H3,(H,19,21)
InChIKeyGHWHUYCPRJFSIB-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)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-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
N-(2-amino-4,5-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867086
N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 86860335
2-(1,3-dioxoisoindol-2-yl)-N-(5-fluoro-2-methoxyphenyl)acetamide
CID 110776571
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4,5-dimethoxybenzoate
CID 1301297
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
N-(2-chloro-4-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110777937
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 2708454
N-(4-bromo-2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 51536649
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide
CID 168516635

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 110777932) is N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is GHWHUYCPRJFSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-24-10-6-7-14(13(18)8-10)19-15(21)9-20-16(22)11-4-2-3-5-12(11)17(20)23/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 344.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 110777932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).