1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea

C27H24F2N4O2 — CID 5051958

IUPAC1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C27H24F2N4O2/c28-18-9-10-25(22(29)15-18)32-27(35)31-24-8-4-2-6-20(24)26(34)33-13-11-17(12-14-33)21-16-30-23-7-3-1-5-19(21)23/h1-10,15-17,30H,11-14H2,(H2,31,32,35)
InChIKeyHPSXBLOSTKXUMV-UHFFFAOYSA-N
MW474.51 g/mol
LogP6.11
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea

1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea (PubChem CID 5051958) has the molecular formula C27H24F2N4O2 and a molecular weight of 474.51 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea
PubChem CID5051958
Molecular FormulaC27H24F2N4O2
Molecular Weight474.51 g/mol
Exact Mass474.19
IUPAC Name1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C27H24F2N4O2/c28-18-9-10-25(22(29)15-18)32-27(35)31-24-8-4-2-6-20(24)26(34)33-13-11-17(12-14-33)21-16-30-23-7-3-1-5-19(21)23/h1-10,15-17,30H,11-14H2,(H2,31,32,35)
InChIKeyHPSXBLOSTKXUMV-UHFFFAOYSA-N
XLogP6.11
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.51
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea with MolForge

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Related Compounds

[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24599169
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 55510978
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
CID 113087743
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea (CID 5051958) is 1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea is O=C(Nc1ccc(F)cc1F)Nc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea?
The InChIKey is HPSXBLOSTKXUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O2/c28-18-9-10-25(22(29)15-18)32-27(35)31-24-8-4-2-6-20(24)26(34)33-13-11-17(12-14-33)21-16-30-23-7-3-1-5-19(21)23/h1-10,15-17,30H,11-14H2,(H2,31,32,35).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea?
1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea has a molecular weight of 474.51 g/mol, XLogP of 6.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 5051958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).