(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C17H13BrN2O3 — CID 7104334

IUPAC(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13BrN2O3/c1-10(15(21)19-12-6-4-5-11(18)9-12)20-16(22)13-7-2-3-8-14(13)17(20)23/h2-10H,1H3,(H,19,21)/t10-/m0/s1
InChIKeyVJLRCAWEDIPGHB-JTQLQIEISA-N
MW373.21 g/mol
LogP3.07
Rot. Bonds3

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

(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 7104334) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is (2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID7104334
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13BrN2O3/c1-10(15(21)19-12-6-4-5-11(18)9-12)20-16(22)13-7-2-3-8-14(13)17(20)23/h2-10H,1H3,(H,19,21)/t10-/m0/s1
InChIKeyVJLRCAWEDIPGHB-JTQLQIEISA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.07
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-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 4565306
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 2788215
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
N-[1-(3-bromophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55591432
(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 31779050
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 24666659
(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 721438
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 46696526

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of (2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 7104334) is (2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for (2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is C[C@@H](C(=O)Nc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is VJLRCAWEDIPGHB-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13BrN2O3/c1-10(15(21)19-12-6-4-5-11(18)9-12)20-16(22)13-7-2-3-8-14(13)17(20)23/h2-10H,1H3,(H,19,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 373.21 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 7104334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).