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

C25H24FN3O3 — CID 92892882

IUPAC1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C25H24FN3O3/c1-31-23-12-11-18(13-24(23)32-2)29-25(30)28-14-20(16-7-9-17(26)10-8-16)21-15-27-22-6-4-3-5-19(21)22/h3-13,15,20,27H,14H2,1-2H3,(H2,28,29,30)/t20-/m1/s1
InChIKeyAXWIUHJCLCFCHE-HXUWFJFHSA-N
MW433.48 g/mol
LogP5.28
Rot. Bonds7

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

1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea (PubChem CID 92892882) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
PubChem CID92892882
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C25H24FN3O3/c1-31-23-12-11-18(13-24(23)32-2)29-25(30)28-14-20(16-7-9-17(26)10-8-16)21-15-27-22-6-4-3-5-19(21)22/h3-13,15,20,27H,14H2,1-2H3,(H2,28,29,30)/t20-/m1/s1
InChIKeyAXWIUHJCLCFCHE-HXUWFJFHSA-N
XLogP5.28
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 46354820
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92876039
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea
CID 92892911
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-(2-ethylphenyl)urea
CID 92876005
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
CID 92892940
methyl 2-[[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]carbamoylamino]benzoate
CID 46354806
1-[2,2-bis(1H-indol-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)thiourea
CID 172694399
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92875917
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea
CID 50801399

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea (CID 92892882) is 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea is COc1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is AXWIUHJCLCFCHE-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-31-23-12-11-18(13-24(23)32-2)29-25(30)28-14-20(16-7-9-17(26)10-8-16)21-15-27-22-6-4-3-5-19(21)22/h3-13,15,20,27H,14H2,1-2H3,(H2,28,29,30)/t20-/m1/s1.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea?
1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 433.48 g/mol, XLogP of 5.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 92892882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).