(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide

C14H12N2O2 — CID 7473479

IUPAC(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
SMILESC[C@H](C(N)=O)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C14H12N2O2/c1-8(13(15)17)16-11-7-3-5-9-4-2-6-10(12(9)11)14(16)18/h2-8H,1H3,(H2,15,17)/t8-/m1/s1
InChIKeyJLPIVFLTTJRXHO-MRVPVSSYSA-N
MW240.26 g/mol
LogP1.67
Rot. Bonds2

About (2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide

(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide (PubChem CID 7473479) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
PubChem CID7473479
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
SMILESC[C@H](C(N)=O)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C14H12N2O2/c1-8(13(15)17)16-11-7-3-5-9-4-2-6-10(12(9)11)14(16)18/h2-8H,1H3,(H2,15,17)/t8-/m1/s1
InChIKeyJLPIVFLTTJRXHO-MRVPVSSYSA-N
XLogP1.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2227717
(2R)-N-(4-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2237349
(2S)-N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2224775
1-butan-2-ylbenzo[cd]indol-2-one
CID 155006053
N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 4565306
2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide
CID 43421958
(2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2238586
8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 124849627
1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one
CID 171359567
4-[2-(2-oxobenzo[cd]indol-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 91829971
1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one
CID 146039915
N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 50960947

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
The IUPAC name of (2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide (CID 7473479) is (2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide.
What is the SMILES notation for (2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
The canonical SMILES for (2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide is C[C@H](C(N)=O)N1C(=O)c2cccc3cccc1c23.
What is the InChIKey of (2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
The InChIKey is JLPIVFLTTJRXHO-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8(13(15)17)16-11-7-3-5-9-4-2-6-10(12(9)11)14(16)18/h2-8H,1H3,(H2,15,17)/t8-/m1/s1.
What are the key properties of (2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide has a molecular weight of 240.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide is sourced from PubChem (CID 7473479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).