1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea

C17H16N4O2 — CID 5058781

IUPAC1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccccc1
InChIInChI=1S/C17H16N4O2/c22-16(10-12-11-18-15-9-5-4-8-14(12)15)20-21-17(23)19-13-6-2-1-3-7-13/h1-9,11,18H,10H2,(H,20,22)(H2,19,21,23)
InChIKeyALXCFLIBOWIOIH-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.56
Rot. Bonds3

About 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea

1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea (PubChem CID 5058781) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
PubChem CID5058781
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccccc1
InChIInChI=1S/C17H16N4O2/c22-16(10-12-11-18-15-9-5-4-8-14(12)15)20-21-17(23)19-13-6-2-1-3-7-13/h1-9,11,18H,10H2,(H,20,22)(H2,19,21,23)
InChIKeyALXCFLIBOWIOIH-UHFFFAOYSA-N
XLogP2.56
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
CID 31828855
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 38160633
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
N'-[2-(1H-indol-3-yl)acetyl]cyclobutanecarbohydrazide
CID 29437842

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea?
The IUPAC name of 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea (CID 5058781) is 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea.
What is the SMILES notation for 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea?
The canonical SMILES for 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea is O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea?
The InChIKey is ALXCFLIBOWIOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16(10-12-11-18-15-9-5-4-8-14(12)15)20-21-17(23)19-13-6-2-1-3-7-13/h1-9,11,18H,10H2,(H,20,22)(H2,19,21,23).
What are the key properties of 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea?
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea has a molecular weight of 308.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea is sourced from PubChem (CID 5058781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).