3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide

C17H15IN2O — CID 7740467

IUPAC3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccccc1I
InChIInChI=1S/C17H15IN2O/c18-14-6-2-4-8-16(14)20-17(21)10-9-12-11-19-15-7-3-1-5-13(12)15/h1-8,11,19H,9-10H2,(H,20,21)
InChIKeyLYOXXCIZGLLFKC-UHFFFAOYSA-N
MW390.22 g/mol
LogP4.34
Rot. Bonds4

About 3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide

3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide (PubChem CID 7740467) has the molecular formula C17H15IN2O and a molecular weight of 390.22 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
PubChem CID7740467
Molecular FormulaC17H15IN2O
Molecular Weight390.22 g/mol
Exact Mass390.02
IUPAC Name3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccccc1I
InChIInChI=1S/C17H15IN2O/c18-14-6-2-4-8-16(14)20-17(21)10-9-12-11-19-15-7-3-1-5-13(12)15/h1-8,11,19H,9-10H2,(H,20,21)
InChIKeyLYOXXCIZGLLFKC-UHFFFAOYSA-N
XLogP4.34
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 110864691
N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide
CID 55900685
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 2470313
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43068767
(2S)-3-(1H-indol-3-yl)-2-[[2-[[2-[3-(1H-indol-3-yl)propanoylamino]benzoyl]amino]benzoyl]amino]propanoic acid
CID 101045784
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide (CID 7740467) is 3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1I.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide?
The InChIKey is LYOXXCIZGLLFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O/c18-14-6-2-4-8-16(14)20-17(21)10-9-12-11-19-15-7-3-1-5-13(12)15/h1-8,11,19H,9-10H2,(H,20,21).
What are the key properties of 3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide?
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide has a molecular weight of 390.22 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide is sourced from PubChem (CID 7740467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).