3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide

C16H10Cl2N2O3 — CID 5303031

IUPAC3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C1=O
InChIInChI=1S/C16H10Cl2N2O3/c1-20-15(22)10-4-3-9(7-11(10)16(20)23)19-14(21)8-2-5-12(17)13(18)6-8/h2-7H,1H3,(H,19,21)
InChIKeyIMDCSLSPKGRIRC-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.47
Rot. Bonds2

About 3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide

3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (PubChem CID 5303031) has the molecular formula C16H10Cl2N2O3 and a molecular weight of 349.17 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
PubChem CID5303031
Molecular FormulaC16H10Cl2N2O3
Molecular Weight349.17 g/mol
Exact Mass348.01
IUPAC Name3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C1=O
InChIInChI=1S/C16H10Cl2N2O3/c1-20-15(22)10-4-3-9(7-11(10)16(20)23)19-14(21)8-2-5-12(17)13(18)6-8/h2-7H,1H3,(H,19,21)
InChIKeyIMDCSLSPKGRIRC-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.47
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

3,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 3479258
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4071661
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,5-dinitrobenzamide
CID 4536464
2-methyl-1,3-dioxo-N-pyridin-3-ylisoindole-5-carboxamide
CID 973223
5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
CID 31508122
4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 42030668
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide
CID 4194063
3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide
CID 55572883
2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide
CID 26289690

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (CID 5303031) is 3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is CN1C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C1=O.
What is the InChIKey of 3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The InChIKey is IMDCSLSPKGRIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3/c1-20-15(22)10-4-3-9(7-11(10)16(20)23)19-14(21)8-2-5-12(17)13(18)6-8/h2-7H,1H3,(H,19,21).
What are the key properties of 3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide has a molecular weight of 349.17 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is sourced from PubChem (CID 5303031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).