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

C23H18FN3O3 — CID 171043073

IUPAC1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(ccn3C(=O)c3cccc(F)c3)c2)cc1
InChIInChI=1S/C23H18FN3O3/c1-30-20-8-5-18(6-9-20)25-23(29)26-19-7-10-21-15(14-19)11-12-27(21)22(28)16-3-2-4-17(24)13-16/h2-14H,1H3,(H2,25,26,29)
InChIKeyARFZIKFIDMBQIZ-UHFFFAOYSA-N
MW403.41 g/mol
LogP5.12
Rot. Bonds4

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

1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-methoxyphenyl)urea (PubChem CID 171043073) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-methoxyphenyl)urea
PubChem CID171043073
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(ccn3C(=O)c3cccc(F)c3)c2)cc1
InChIInChI=1S/C23H18FN3O3/c1-30-20-8-5-18(6-9-20)25-23(29)26-19-7-10-21-15(14-19)11-12-27(21)22(28)16-3-2-4-17(24)13-16/h2-14H,1H3,(H2,25,26,29)
InChIKeyARFZIKFIDMBQIZ-UHFFFAOYSA-N
XLogP5.12
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.41
LogP ≤ 55.12
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-methoxyphenyl)urea?
The IUPAC name of 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-methoxyphenyl)urea (CID 171043073) is 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc3c(ccn3C(=O)c3cccc(F)c3)c2)cc1.
What is the InChIKey of 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-methoxyphenyl)urea?
The InChIKey is ARFZIKFIDMBQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-30-20-8-5-18(6-9-20)25-23(29)26-19-7-10-21-15(14-19)11-12-27(21)22(28)16-3-2-4-17(24)13-16/h2-14H,1H3,(H2,25,26,29).
What are the key properties of 1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-methoxyphenyl)urea?
1-[1-(3-fluorobenzoyl)indol-5-yl]-3-(4-methoxyphenyl)urea has a molecular weight of 403.41 g/mol, XLogP of 5.12, 4 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-methoxyphenyl)urea is sourced from PubChem (CID 171043073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).