1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea

C25H23F2N3O3 — CID 46354820

IUPAC1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea
SMILESCOc1ccc(C(CNC(=O)Nc2cc(F)ccc2F)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C25H23F2N3O3/c1-32-23-10-7-15(11-24(23)33-2)18(19-14-28-21-6-4-3-5-17(19)21)13-29-25(31)30-22-12-16(26)8-9-20(22)27/h3-12,14,18,28H,13H2,1-2H3,(H2,29,30,31)
InChIKeyNSZJORFLKMXGSU-UHFFFAOYSA-N
MW451.47 g/mol
LogP5.42
Rot. Bonds7

About 1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea

1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea (PubChem CID 46354820) has the molecular formula C25H23F2N3O3 and a molecular weight of 451.47 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea
PubChem CID46354820
Molecular FormulaC25H23F2N3O3
Molecular Weight451.47 g/mol
Exact Mass451.17
IUPAC Name1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea
SMILESCOc1ccc(C(CNC(=O)Nc2cc(F)ccc2F)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C25H23F2N3O3/c1-32-23-10-7-15(11-24(23)33-2)18(19-14-28-21-6-4-3-5-17(19)21)13-29-25(31)30-22-12-16(26)8-9-20(22)27/h3-12,14,18,28H,13H2,1-2H3,(H2,29,30,31)
InChIKeyNSZJORFLKMXGSU-UHFFFAOYSA-N
XLogP5.42
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.47
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea
CID 92876005
1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92892882
methyl 2-[[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]carbamoylamino]benzoate
CID 46354806
1-(2,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92875953
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea
CID 92892911
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 29204635
1-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47014420
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92876039
2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43018386
4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 46521063
1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801474
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea (CID 46354820) is 1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea is COc1ccc(C(CNC(=O)Nc2cc(F)ccc2F)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is NSZJORFLKMXGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O3/c1-32-23-10-7-15(11-24(23)33-2)18(19-14-28-21-6-4-3-5-17(19)21)13-29-25(31)30-22-12-16(26)8-9-20(22)27/h3-12,14,18,28H,13H2,1-2H3,(H2,29,30,31).
What are the key properties of 1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea?
1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 451.47 g/mol, XLogP of 5.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 46354820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).