1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea

C16H17N3O2 — CID 66613515

IUPAC1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cccc2c1CCN2
InChIInChI=1S/C16H17N3O2/c1-21-15-8-3-2-5-14(15)19-16(20)18-13-7-4-6-12-11(13)9-10-17-12/h2-8,17H,9-10H2,1H3,(H2,18,19,20)
InChIKeyGVBYCGWXECWTGL-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.31
Rot. Bonds3

About 1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea

1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea (PubChem CID 66613515) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea
PubChem CID66613515
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cccc2c1CCN2
InChIInChI=1S/C16H17N3O2/c1-21-15-8-3-2-5-14(15)19-16(20)18-13-7-4-6-12-11(13)9-10-17-12/h2-8,17H,9-10H2,1H3,(H2,18,19,20)
InChIKeyGVBYCGWXECWTGL-UHFFFAOYSA-N
XLogP3.31
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea (CID 66613515) is 1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1cccc2c1CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is GVBYCGWXECWTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-15-8-3-2-5-14(15)19-16(20)18-13-7-4-6-12-11(13)9-10-17-12/h2-8,17H,9-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea?
1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 283.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 66613515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).