1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea

C19H19ClFN3O2 — CID 167907490

IUPAC1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea
SMILESO=C(NCC(CO)Cc1c(F)cccc1Cl)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C19H19ClFN3O2/c20-16-2-1-3-17(21)15(16)8-12(11-25)10-23-19(26)24-14-5-4-13-6-7-22-18(13)9-14/h1-7,9,12,22,25H,8,10-11H2,(H2,23,24,26)
InChIKeyZMGISHJVKCMDRY-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.93
Rot. Bonds6

About 1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea

1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea (PubChem CID 167907490) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea.

Molecular Properties

Compound Name1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea
PubChem CID167907490
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea
SMILESO=C(NCC(CO)Cc1c(F)cccc1Cl)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C19H19ClFN3O2/c20-16-2-1-3-17(21)15(16)8-12(11-25)10-23-19(26)24-14-5-4-13-6-7-22-18(13)9-14/h1-7,9,12,22,25H,8,10-11H2,(H2,23,24,26)
InChIKeyZMGISHJVKCMDRY-UHFFFAOYSA-N
XLogP3.93
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea?
The IUPAC name of 1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea (CID 167907490) is 1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea.
What is the SMILES notation for 1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea?
The canonical SMILES for 1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea is O=C(NCC(CO)Cc1c(F)cccc1Cl)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea?
The InChIKey is ZMGISHJVKCMDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c20-16-2-1-3-17(21)15(16)8-12(11-25)10-23-19(26)24-14-5-4-13-6-7-22-18(13)9-14/h1-7,9,12,22,25H,8,10-11H2,(H2,23,24,26).
What are the key properties of 1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea?
1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea has a molecular weight of 375.83 g/mol, XLogP of 3.93, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea is sourced from PubChem (CID 167907490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).