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

C17H15ClFN3O2 — CID 98139825

IUPAC1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-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-/m0/s1
InChIKeyYOZRXAJVGZBWKG-LBPRGKRZSA-N
MW347.78 g/mol
LogP3.73
Rot. Bonds4

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

1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea (PubChem CID 98139825) 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-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea
PubChem CID98139825
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-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-/m0/s1
InChIKeyYOZRXAJVGZBWKG-LBPRGKRZSA-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

Analyze 1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea with MolForge

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea
CID 95568579
1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea
CID 110748774
1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea
CID 31771075
4-chloro-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730209
N-(4-fluoro-2-methylphenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 86867543
(3S)-3-[2-(4-fluoro-2-nitroanilino)ethyl]-1,3-dihydroindol-2-one
CID 51514225
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]cyclohexanecarboxamide
CID 110730173
1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021221
3,5-dimethoxy-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730193
2-methoxy-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730190
N-[(4-fluorophenyl)methyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694604
N-(3,4-dichlorophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694719

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea (CID 98139825) is 1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-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-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea?
The InChIKey is YOZRXAJVGZBWKG-LBPRGKRZSA-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-/m0/s1.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea?
1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-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-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea is sourced from PubChem (CID 98139825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).