1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea

C28H20FN3O3 — CID 171043054

IUPAC1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(ccn2C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C28H20FN3O3/c29-21-6-4-5-20(17-21)27(33)32-16-15-19-18-23(11-14-26(19)32)31-28(34)30-22-9-12-25(13-10-22)35-24-7-2-1-3-8-24/h1-18H,(H2,30,31,34)
InChIKeyQICDQTJFNBJFJU-UHFFFAOYSA-N
MW465.48 g/mol
LogP6.91
Rot. Bonds5

About 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea

1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea (PubChem CID 171043054) has the molecular formula C28H20FN3O3 and a molecular weight of 465.48 g/mol. Its IUPAC name is 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea
PubChem CID171043054
Molecular FormulaC28H20FN3O3
Molecular Weight465.48 g/mol
Exact Mass465.15
IUPAC Name1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(ccn2C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C28H20FN3O3/c29-21-6-4-5-20(17-21)27(33)32-16-15-19-18-23(11-14-26(19)32)31-28(34)30-22-9-12-25(13-10-22)35-24-7-2-1-3-8-24/h1-18H,(H2,30,31,34)
InChIKeyQICDQTJFNBJFJU-UHFFFAOYSA-N
XLogP6.91
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea (CID 171043054) is 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea is O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(ccn2C(=O)c2cccc(F)c2)c1.
What is the InChIKey of 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea?
The InChIKey is QICDQTJFNBJFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN3O3/c29-21-6-4-5-20(17-21)27(33)32-16-15-19-18-23(11-14-26(19)32)31-28(34)30-22-9-12-25(13-10-22)35-24-7-2-1-3-8-24/h1-18H,(H2,30,31,34).
What are the key properties of 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea?
1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea has a molecular weight of 465.48 g/mol, XLogP of 6.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 171043054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).