N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide

C20H15BrN2O2 — CID 4565306

IUPACN-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H15BrN2O2/c1-12(19(24)22-15-8-4-7-14(21)11-15)23-17-10-3-6-13-5-2-9-16(18(13)17)20(23)25/h2-12H,1H3,(H,22,24)
InChIKeySEQABABRGBPHLS-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.59
Rot. Bonds3

About N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide

N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide (PubChem CID 4565306) has the molecular formula C20H15BrN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
PubChem CID4565306
Molecular FormulaC20H15BrN2O2
Molecular Weight395.26 g/mol
Exact Mass394.03
IUPAC NameN-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H15BrN2O2/c1-12(19(24)22-15-8-4-7-14(21)11-15)23-17-10-3-6-13-5-2-9-16(18(13)17)20(23)25/h2-12H,1H3,(H,22,24)
InChIKeySEQABABRGBPHLS-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2237349
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
(2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2227717
(2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2238586
(2S)-N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2224775
(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 7473479
4-[2-(2-oxobenzo[cd]indol-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 91829971
methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 2788215
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
N-(3-bromophenyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide
CID 3373334
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide (CID 4565306) is N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide is CC(C(=O)Nc1cccc(Br)c1)N1C(=O)c2cccc3cccc1c23.
What is the InChIKey of N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
The InChIKey is SEQABABRGBPHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O2/c1-12(19(24)22-15-8-4-7-14(21)11-15)23-17-10-3-6-13-5-2-9-16(18(13)17)20(23)25/h2-12H,1H3,(H,22,24).
What are the key properties of N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide has a molecular weight of 395.26 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide is sourced from PubChem (CID 4565306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).