N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide

C23H17ClN2O4 — CID 11418750

IUPACN-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Cl)cc2CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H17ClN2O4/c1-30-17-6-4-5-14(12-17)21(27)25-20-10-9-16(24)11-15(20)13-26-22(28)18-7-2-3-8-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27)
InChIKeyURSPQVYFZHQLIN-UHFFFAOYSA-N
MW420.85 g/mol
LogP4.40
Rot. Bonds5

About N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide

N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide (PubChem CID 11418750) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide
PubChem CID11418750
Molecular FormulaC23H17ClN2O4
Molecular Weight420.85 g/mol
Exact Mass420.09
IUPAC NameN-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Cl)cc2CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H17ClN2O4/c1-30-17-6-4-5-14(12-17)21(27)25-20-10-9-16(24)11-15(20)13-26-22(28)18-7-2-3-8-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27)
InChIKeyURSPQVYFZHQLIN-UHFFFAOYSA-N
XLogP4.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 54.40
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-Chloro-2-((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)phenyl)-2-hydroxybenzamide
CID 9931205
N-(2-(4-(4-Chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 3626837
N-{4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10644771
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(4-methoxy-phenyl)-propionamide
CID 682229
N-{3-[4-(4-Chloro-phenyl)-piperazin-1-yl]-propyl}-3-methoxy-benzamide
CID 10000302
N-{5-[4-(4-Chloro-phenyl)-piperazin-1-yl]-pentyl}-3-methoxy-benzamide
CID 10811814
N-(3-chlorophenyl)-1-(3-methoxybenzoyl)-4-piperidinecarboxamide
CID 4604409
N-(4-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007184
N-(4-Chlorophenyl)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
CID 16008594
3-chloro-N-[(2-hydroxyquinolin-3-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 16012985
N-[2-(2,3-Dihydro-1H-indol-1-YL)-2-[4-(dimethylamino)phenyl]ethyl]-3-methoxybenzamide
CID 16028278
N-(4-chloro-2-((1,3-dioxoisoindolin-2-yl)methyl)phenyl)-2-methoxybenzamide
CID 44441381

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide (CID 11418750) is N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(Cl)cc2CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide?
The InChIKey is URSPQVYFZHQLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c1-30-17-6-4-5-14(12-17)21(27)25-20-10-9-16(24)11-15(20)13-26-22(28)18-7-2-3-8-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide?
N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide has a molecular weight of 420.85 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 11418750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).