(2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide

C20H15IN2O2 — CID 2227717

IUPAC(2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(I)cc1)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H15IN2O2/c1-12(19(24)22-15-10-8-14(21)9-11-15)23-17-7-3-5-13-4-2-6-16(18(13)17)20(23)25/h2-12H,1H3,(H,22,24)/t12-/m1/s1
InChIKeyXBFLIUKURONVKY-GFCCVEGCSA-N
MW442.26 g/mol
LogP4.43
Rot. Bonds3

About (2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide

(2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide (PubChem CID 2227717) has the molecular formula C20H15IN2O2 and a molecular weight of 442.26 g/mol. Its IUPAC name is (2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
PubChem CID2227717
Molecular FormulaC20H15IN2O2
Molecular Weight442.26 g/mol
Exact Mass442.02
IUPAC Name(2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(I)cc1)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H15IN2O2/c1-12(19(24)22-15-10-8-14(21)9-11-15)23-17-7-3-5-13-4-2-6-16(18(13)17)20(23)25/h2-12H,1H3,(H,22,24)/t12-/m1/s1
InChIKeyXBFLIUKURONVKY-GFCCVEGCSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.26
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2237349
N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 4565306
(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 7473479
(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-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
4-[2-(2-oxobenzo[cd]indol-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 91829971
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 721438
4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 4523065
1-butan-2-ylbenzo[cd]indol-2-one
CID 155006053

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
The IUPAC name of (2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide (CID 2227717) is (2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
The canonical SMILES for (2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide is C[C@H](C(=O)Nc1ccc(I)cc1)N1C(=O)c2cccc3cccc1c23.
What is the InChIKey of (2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
The InChIKey is XBFLIUKURONVKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H15IN2O2/c1-12(19(24)22-15-10-8-14(21)9-11-15)23-17-7-3-5-13-4-2-6-16(18(13)17)20(23)25/h2-12H,1H3,(H,22,24)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
(2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide has a molecular weight of 442.26 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide is sourced from PubChem (CID 2227717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).