4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide

C22H14Cl2N2O3 — CID 19165779

IUPAC4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C22H14Cl2N2O3/c1-12-10-16(25-20(27)13-2-4-14(23)5-3-13)7-9-19(12)26-21(28)17-8-6-15(24)11-18(17)22(26)29/h2-11H,1H3,(H,25,27)
InChIKeyWDDBNWBIQDXGGL-UHFFFAOYSA-N
MW425.27 g/mol
LogP5.35
Rot. Bonds3

About 4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide

4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide (PubChem CID 19165779) has the molecular formula C22H14Cl2N2O3 and a molecular weight of 425.27 g/mol. Its IUPAC name is 4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide
PubChem CID19165779
Molecular FormulaC22H14Cl2N2O3
Molecular Weight425.27 g/mol
Exact Mass424.04
IUPAC Name4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C22H14Cl2N2O3/c1-12-10-16(25-20(27)13-2-4-14(23)5-3-13)7-9-19(12)26-21(28)17-8-6-15(24)11-18(17)22(26)29/h2-11H,1H3,(H,25,27)
InChIKeyWDDBNWBIQDXGGL-UHFFFAOYSA-N
XLogP5.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.27
LogP ≤ 55.35
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

N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
CID 19169546
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide
CID 45110009
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide
CID 19169553
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
5-[[2-(2,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 1036032
N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1364800
4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
1-(N-tert-butyl-S-phenylsulfonimidoyl)-3-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]urea
CID 20799235
N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1189042
N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26720485
N-(4-carbamoyl-3-methylphenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 56518238

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide (CID 19165779) is 4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O.
What is the InChIKey of 4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide?
The InChIKey is WDDBNWBIQDXGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O3/c1-12-10-16(25-20(27)13-2-4-14(23)5-3-13)7-9-19(12)26-21(28)17-8-6-15(24)11-18(17)22(26)29/h2-11H,1H3,(H,25,27).
What are the key properties of 4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide?
4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide has a molecular weight of 425.27 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide is sourced from PubChem (CID 19165779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).