N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide

C23H17ClN2O3 — CID 17362843

IUPACN-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2Cl)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H17ClN2O3/c1-14-10-11-15(21(27)25-13-16-6-2-5-9-19(16)24)12-20(14)26-22(28)17-7-3-4-8-18(17)23(26)29/h2-12H,13H2,1H3,(H,25,27)
InChIKeyPDVGXTPBALDBOR-UHFFFAOYSA-N
MW404.85 g/mol
LogP4.38
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide

N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide (PubChem CID 17362843) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide
PubChem CID17362843
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2Cl)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H17ClN2O3/c1-14-10-11-15(21(27)25-13-16-6-2-5-9-19(16)24)12-20(14)26-22(28)17-7-3-4-8-18(17)23(26)29/h2-12H,13H2,1H3,(H,25,27)
InChIKeyPDVGXTPBALDBOR-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 9488931
3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 17359363
3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide
CID 168516556
N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9321369
3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115610944
N-[(3-chlorophenyl)methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9401718
N-[(2-chlorophenyl)methyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683170
4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
CID 2226714
(11R)-N-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 92662972
[2-(3,4-dichlorophenyl)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)-4-methylbenzoate
CID 1213989
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2437348
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide (CID 17362843) is N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccccc2Cl)cc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide?
The InChIKey is PDVGXTPBALDBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c1-14-10-11-15(21(27)25-13-16-6-2-5-9-19(16)24)12-20(14)26-22(28)17-7-3-4-8-18(17)23(26)29/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide?
N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide has a molecular weight of 404.85 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 17362843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).