N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide

C22H15BrN2O3 — CID 1271171

IUPACN-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H15BrN2O3/c1-13-11-15(23)9-10-19(13)24-20(26)14-5-4-6-16(12-14)25-21(27)17-7-2-3-8-18(17)22(25)28/h2-12H,1H3,(H,24,26)
InChIKeyUXOZZSWRVHQBQF-UHFFFAOYSA-N
MW435.28 g/mol
LogP4.81
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide

N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 1271171) has the molecular formula C22H15BrN2O3 and a molecular weight of 435.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID1271171
Molecular FormulaC22H15BrN2O3
Molecular Weight435.28 g/mol
Exact Mass434.03
IUPAC NameN-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H15BrN2O3/c1-13-11-15(23)9-10-19(13)24-20(26)14-5-4-6-16(12-14)25-21(27)17-7-2-3-8-18(17)22(25)28/h2-12H,1H3,(H,24,26)
InChIKeyUXOZZSWRVHQBQF-UHFFFAOYSA-N
XLogP4.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.28
LogP ≤ 54.81
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-bromo-2-methylphenyl)-3-[(1S,2R,6S,7S,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 124717808
2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 19177394
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
3-bromo-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 22777543
N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1189042
N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19336564
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
3-(5-bromo-1,3-dioxoisoindol-2-yl)benzoic acid
CID 690729
N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168518948
3-[(3aR,5S,6S,7aR)-5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-methylphenyl)benzamide
CID 98339372
N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 46523398

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide (CID 1271171) is N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide is Cc1cc(Br)ccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is UXOZZSWRVHQBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O3/c1-13-11-15(23)9-10-19(13)24-20(26)14-5-4-6-16(12-14)25-21(27)17-7-2-3-8-18(17)22(25)28/h2-12H,1H3,(H,24,26).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 435.28 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 1271171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).