1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea

C22H17F2N3O2 — CID 46384443

IUPAC1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1cc(F)ccc1F
InChIInChI=1S/C22H17F2N3O2/c23-16-7-9-18(24)19(12-16)26-22(29)25-17-8-6-14-10-11-27(20(14)13-17)21(28)15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H2,25,26,29)
InChIKeyXYQYWPIMOGAXRO-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.81
Rot. Bonds3

About 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea

1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea (PubChem CID 46384443) has the molecular formula C22H17F2N3O2 and a molecular weight of 393.39 g/mol. Its IUPAC name is 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea
PubChem CID46384443
Molecular FormulaC22H17F2N3O2
Molecular Weight393.39 g/mol
Exact Mass393.13
IUPAC Name1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1cc(F)ccc1F
InChIInChI=1S/C22H17F2N3O2/c23-16-7-9-18(24)19(12-16)26-22(29)25-17-8-6-14-10-11-27(20(14)13-17)21(28)15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H2,25,26,29)
InChIKeyXYQYWPIMOGAXRO-UHFFFAOYSA-N
XLogP4.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384382
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea
CID 30372487
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 46384446
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(2-methoxyphenyl)urea
CID 30372555
1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea
CID 46384359
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-[(4-fluorophenyl)methyl]urea
CID 30372619
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
CID 46384423
1-(2,5-difluorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099754
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(3-methoxyphenyl)urea
CID 30372497
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea
CID 46384438
N-(3,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049570

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea?
The IUPAC name of 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea (CID 46384443) is 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea.
What is the SMILES notation for 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea?
The canonical SMILES for 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea is O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea?
The InChIKey is XYQYWPIMOGAXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2/c23-16-7-9-18(24)19(12-16)26-22(29)25-17-8-6-14-10-11-27(20(14)13-17)21(28)15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H2,25,26,29).
What are the key properties of 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea?
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea has a molecular weight of 393.39 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea is sourced from PubChem (CID 46384443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).