1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea

C17H15ClFN3O2 — CID 95568579

IUPAC1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea
SMILESO=C(NCC[C@H]1C(=O)Nc2ccccc21)Nc1cc(F)ccc1Cl
InChIInChI=1S/C17H15ClFN3O2/c18-13-6-5-10(19)9-15(13)22-17(24)20-8-7-12-11-3-1-2-4-14(11)21-16(12)23/h1-6,9,12H,7-8H2,(H,21,23)(H2,20,22,24)/t12-/m1/s1
InChIKeyYOZRXAJVGZBWKG-GFCCVEGCSA-N
MW347.78 g/mol
LogP3.73
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea

1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea (PubChem CID 95568579) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea
PubChem CID95568579
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea
SMILESO=C(NCC[C@H]1C(=O)Nc2ccccc21)Nc1cc(F)ccc1Cl
InChIInChI=1S/C17H15ClFN3O2/c18-13-6-5-10(19)9-15(13)22-17(24)20-8-7-12-11-3-1-2-4-14(11)21-16(12)23/h1-6,9,12H,7-8H2,(H,21,23)(H2,20,22,24)/t12-/m1/s1
InChIKeyYOZRXAJVGZBWKG-GFCCVEGCSA-N
XLogP3.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea (CID 95568579) is 1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea is O=C(NCC[C@H]1C(=O)Nc2ccccc21)Nc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea?
The InChIKey is YOZRXAJVGZBWKG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c18-13-6-5-10(19)9-15(13)22-17(24)20-8-7-12-11-3-1-2-4-14(11)21-16(12)23/h1-6,9,12H,7-8H2,(H,21,23)(H2,20,22,24)/t12-/m1/s1.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea?
1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea has a molecular weight of 347.78 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea is sourced from PubChem (CID 95568579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).