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

C21H13BrN2O3 — CID 15991864

IUPACN-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O)c1ccccc1
InChIInChI=1S/C21H13BrN2O3/c22-14-6-9-16(10-7-14)24-20(26)17-11-8-15(12-18(17)21(24)27)23-19(25)13-4-2-1-3-5-13/h1-12H,(H,23,25)
InChIKeyZZSRRUAAPFQTDX-UHFFFAOYSA-N
MW421.25 g/mol
LogP4.50
Rot. Bonds3

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

N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide (PubChem CID 15991864) has the molecular formula C21H13BrN2O3 and a molecular weight of 421.25 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide
PubChem CID15991864
Molecular FormulaC21H13BrN2O3
Molecular Weight421.25 g/mol
Exact Mass420.01
IUPAC NameN-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O)c1ccccc1
InChIInChI=1S/C21H13BrN2O3/c22-14-6-9-16(10-7-14)24-20(26)17-11-8-15(12-18(17)21(24)27)23-19(25)13-4-2-1-3-5-13/h1-12H,(H,23,25)
InChIKeyZZSRRUAAPFQTDX-UHFFFAOYSA-N
XLogP4.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.25
LogP ≤ 54.50
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-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide
CID 25044036
3-bromo-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 22777543
2-[4-[[2-(4-bromophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]phenoxy]acetic acid
CID 17172389
4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide
CID 20629329
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
N-(3-iodophenyl)-2-[4-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3092324
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
N-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide
CID 15176885
N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide
CID 839386
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1188835

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide?
The IUPAC name of N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide (CID 15991864) is N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide?
The canonical SMILES for N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide is O=C(Nc1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O)c1ccccc1.
What is the InChIKey of N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide?
The InChIKey is ZZSRRUAAPFQTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrN2O3/c22-14-6-9-16(10-7-14)24-20(26)17-11-8-15(12-18(17)21(24)27)23-19(25)13-4-2-1-3-5-13/h1-12H,(H,23,25).
What are the key properties of N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide?
N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide has a molecular weight of 421.25 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide is sourced from PubChem (CID 15991864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).