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

C18H15N3O — CID 110864691

IUPACN-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H15N3O/c19-11-13-5-1-3-7-16(13)21-18(22)10-9-14-12-20-17-8-4-2-6-15(14)17/h1-8,12,20H,9-10H2,(H,21,22)
InChIKeyOQHABFWFUKOMTK-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.61
Rot. Bonds4

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

N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 110864691) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID110864691
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H15N3O/c19-11-13-5-1-3-7-16(13)21-18(22)10-9-14-12-20-17-8-4-2-6-15(14)17/h1-8,12,20H,9-10H2,(H,21,22)
InChIKeyOQHABFWFUKOMTK-UHFFFAOYSA-N
XLogP3.61
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
2-[3-(1H-indol-3-yl)propanoylamino]benzamide
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N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109794
N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
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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
2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide
CID 110864641
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 4844045
N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 2470313
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CID 109173760

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide (CID 110864691) is N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide is N#Cc1ccccc1NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is OQHABFWFUKOMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-11-13-5-1-3-7-16(13)21-18(22)10-9-14-12-20-17-8-4-2-6-15(14)17/h1-8,12,20H,9-10H2,(H,21,22).
What are the key properties of N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide?
N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 289.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 110864691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).