N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide

C17H14N2O2 — CID 110473206

IUPACN-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
SMILESO=C(CC(=O)c1ccccc1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H14N2O2/c20-16(12-4-2-1-3-5-12)11-17(21)19-14-6-7-15-13(10-14)8-9-18-15/h1-10,18H,11H2,(H,19,21)
InChIKeyKKDKWKCYKDIUFH-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.38
Rot. Bonds4

About N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide

N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide (PubChem CID 110473206) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
PubChem CID110473206
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
SMILESO=C(CC(=O)c1ccccc1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H14N2O2/c20-16(12-4-2-1-3-5-12)11-17(21)19-14-6-7-15-13(10-14)8-9-18-15/h1-10,18H,11H2,(H,19,21)
InChIKeyKKDKWKCYKDIUFH-UHFFFAOYSA-N
XLogP3.38
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide
CID 59103523
3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
CID 110024564
2-(4-hydroxyphenyl)-N-(1H-indol-5-yl)acetamide
CID 110472843
1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941797
1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
CID 155412352
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
N-(1H-indol-5-yl)-2-(oxetan-3-yl)acetamide
CID 112526005
(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
CID 61250453
2-(1-aminocyclopentyl)-N-(1H-indol-5-yl)acetamide
CID 64679206
N-(1H-indol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 51048931
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide (CID 110473206) is N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide is O=C(CC(=O)c1ccccc1)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide?
The InChIKey is KKDKWKCYKDIUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16(12-4-2-1-3-5-12)11-17(21)19-14-6-7-15-13(10-14)8-9-18-15/h1-10,18H,11H2,(H,19,21).
What are the key properties of N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide?
N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide has a molecular weight of 278.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110473206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).