N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide

C16H11BrN2O3 — CID 135027805

IUPACN-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)N(c1ccccc1Br)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H11BrN2O3/c1-10(20)18(14-9-5-4-8-13(14)17)19-15(21)11-6-2-3-7-12(11)16(19)22/h2-9H,1H3
InChIKeyNISTXNQJROBYMJ-UHFFFAOYSA-N
MW359.18 g/mol
LogP3.01
Rot. Bonds2

About N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide

N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 135027805) has the molecular formula C16H11BrN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID135027805
Molecular FormulaC16H11BrN2O3
Molecular Weight359.18 g/mol
Exact Mass358.00
IUPAC NameN-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)N(c1ccccc1Br)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H11BrN2O3/c1-10(20)18(14-9-5-4-8-13(14)17)19-15(21)11-6-2-3-7-12(11)16(19)22/h2-9H,1H3
InChIKeyNISTXNQJROBYMJ-UHFFFAOYSA-N
XLogP3.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[acetyl-(1,3-dioxoisoindol-2-yl)amino]-2,4,6-triiodobenzene-1,3-dicarbonyl chloride
CID 21257692
(1,3-dioxoisoindol-2-yl)-methylcarbamic acid
CID 70639006
N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 139187245
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide
CID 12815728
(2S)-4,4,4-trichloro-N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenylbutanamide
CID 139189107
N-(2-bromophenyl)-N-methylhydroxylamine
CID 58554811
tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11793055
N-(2-bromophenyl)-N-but-3-enylacetamide
CID 15062818
(1,3-dioxoisoindol-2-yl) 2-bromobenzoate
CID 132508616
N-benzoyl-N-(2-bromophenyl)benzamide
CID 10595916
N-(2-bromophenyl)-N-ethyl-2-methylprop-2-enamide
CID 168864432
2-(3-bromo-2,4-dioxopentan-3-yl)oxyisoindole-1,3-dione
CID 72793355

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide (CID 135027805) is N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide is CC(=O)N(c1ccccc1Br)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is NISTXNQJROBYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O3/c1-10(20)18(14-9-5-4-8-13(14)17)19-15(21)11-6-2-3-7-12(11)16(19)22/h2-9H,1H3.
What are the key properties of N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide?
N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 359.18 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 135027805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).